tautomers


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tautomers

Structural ISOMERS that exist in equilibrium with each other. They have identical chemical formulae but their molecular structures differ slightly. A change in tautomeric form in the bases in DNA can cause a mutation as the alteration in the position of the atoms can interfere with the formation of HYDROGEN BONDS between the base pairs.
Collins Dictionary of Medicine © Robert M. Youngson 2004, 2005
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Table 1: DFT/B3LYP (3-21G) parameters over all proposed tautomers (12-18 and 21A-C).
Confirmed Mechanism for 1,8-Diaminonaphthalene and Ethyl Aroylpyrovate Derivatives Reaction, DFT/B3LYP, and Antimicrobial Activity of the Products
The protonation states and the tautomers, when possible, were adjusted according to pH 7.4 [49].
Synthesis, SAR, and Docking Studies Disclose 2-Arylfuran-1,4-naphthoquinones as In Vitro Antiplasmodial Hits
As shown in Table 2, the bands at 1746-1750 [cm.sup.-1] for the free ligands were assigned to the C=O stretching vibration of [beta]-diketonate and the bands at 1742-1746 [cm.sup.-1] for the corresponding complexes; there is hardly any red shifts to form enol tautomers in complexes [7, 20-22], which confirmed that oxygen atoms of carbonyl group of [beta]-diketonate did not bind to uranyl ion.
Investigation on the Synthesis and Photocatalytic Property of Uranyl Complexes of the [beta]-Diketonates Biscatecholamide Ligand
The structure of nemorosone ([C.sub.33][H.sub.42][O.sub.4]) is a mixture of tautomers: l-benzoyl-4-hydroxy-8,8-dimethyl-3,5,7tris(3-methyl-2-butenyl)-bicyclo-[3.3.1]-non-3-ene- 2,9-dione and 1-benzoyl-2-hydroxy-8,8-dimethyl-3,5,7-tris(3-methyl-2-butenyl)-bicyclo-[3.3.1]-non-2-ene-4,9-dione.
Effects of nemorosone, isolated from the plant Clusia rosea, on the cell cycle and gene expression in MCF-7 BUS breast cancer cell lines
The ratios were determined through NMR spectroscopic studies by measuring the integral ratios of the CH=N sharp singlets in the solvents reported and the attribution to the two tautomers of the different groups of signals was done upon COSY experiments.
Syntheses of isoxazoline-carbocyclic nucleosides and their antiviral evaluation: a standard protocol
Alparone, "Theoretical study on the static and dynamic firstorder hyperpolarizabilities of adenine tautomers," Molecular Physics, 2013.
Second harmonic generation, electrooptical pockels effect, and static first-order hyperpolarizabilities of 2,2-bithiophene conformers: an HF, MP2, and DFT theoretical investigation
In cases where candidate structures were ambiguous, alternative charged forms or tautomers were tested as well as the original database entry.
A novel inhibitor of mammalian triosephosphate isomerase found by an In Silico approach
The crystal structure of [HL.sup.1] has been reported in literature [23] but was redetermined to investigate if the new method of crystal isolation could affect the R-factor which was earlier reported as 0.0542 [23], and control the intramolecular rearrangement of the molecule from structure (4) to any of the other tautomers, see Figure 1.
Synthesis, characterization, and biological activity of N'-[(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4-h-pyrazol-4ylidene)(phenyl)methyl]benzohydrazide and its Co(II), Ni(II), and Cu(II) complexes
Bonda has been teaching the industry about the instability of this and other ingredients for decades, but in this presentation, he focused on diketo tautomers and diketo triplets and the role they play in the production of singlet oxygen, which is toxic to cells.
The hot spot for sun care: nearly 500 attend the Sunscreen Symposium sponsored by the Florida Chapter of the Society of Cosmetic Chemists
Obayes et al., "Thermodynamic studies on 4-aminocoumarin tautomers," International Journal of Electrochemical Science, vol.
Thermodynamic and theoretical study of the preparation of new buckyballs from corannulene, coronene, and circulene
THEORETICAL STUDY OF TWO TAUTOMERS OF LOSARTAN IN GAS PHASE AND AQUEOUS SOLUTION.
Chemistry (Alabama undergraduate Research symposium)
The [alpha]-keto acid spontaneously cyclizes to form enamine/imine tautomers; but at the naturally acidic pH of ink, the [alpha]-keto acid dominates.
Escape by inking and secreting: marine molluscs avoid predators through a rich array of chemicals and mechanisms

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