ライフサイエンスコーパス: tautomeric

1 Our results indicate that rare tautomeric and anionic bases are widespread in nucleic a

2 Rare tautomeric and anionic nucleobases are believed to have

3 eport direct NMR evidence that the transient tautomeric and anionic species form hydrogen-bonded Wats

4 eic acid transient states including in other tautomeric and anionic species that are postulated to pl

5 hes in DNA and RNA duplexes transiently form tautomeric and anionic species with probabilities ( appr

6 nd, significantly destabilized the transient tautomeric and anionic species, as assessed by lack of a

7 The tautomeric and structural properties of acetylacetone, C

8 ee and enzyme-bound inhibitor have permitted tautomeric assignment of these species and establish tha

9 nternal Charge Transfer) fluorescent dyes or tautomeric benzofluorescein class of two-color dyes.

10 ine the relative population distributions of tautomeric carboxylate (C(-)) and phenoxide (P(-)) ions

11 fects observed experimentally, including the tautomeric, closed/open form equilibrium and intermolecu

12 coordinate a single metal ion in the Ndelta1 tautomeric conformation, presumably to avoid steric conf

13 The tautomeric constant (KT) values at different temperature

14 A strong correlation between the tautomeric constant and the incorporation specificity of

15 The tautomeric constant of N-methyl P has been calculated fr

16 rrelates the mutagenicity of KP1212 with its tautomeric distribution in solution.

17 onating groups on the dimerization motif and tautomeric distribution of isomers, the synthesis of com

18 philic PEG unit in the lateral chain and the tautomeric distributions were determined.

19 The gas-phase thermochemical properties (tautomeric energies, acidity, and proton affinity) have

20 molecular dynamics calculations, we find the tautomeric enol form to be dynamically metastable, with

21 dynamic kinetic resolution in which a rapid tautomeric equilibration of diastereomeric iminium catio

22 ut has significantly altered protonation and tautomeric equilibria at H37.

23 The observed tautomeric equilibria have been rationalized with comput

24 Representative examples of the tautomeric equilibria of pi-conjugated heterocyclic comp

25 The comprehension of tautomeric equilibria of this new class of quinoid compo

26 ironment in altering both the ionization and tautomeric equilibria on the coenzyme even prior to addi

27 observed (2)H isotope effects on aldohexose tautomeric equilibria provide new insights into the impo

28 +G(3df,3pd) Gibbs free energy, the keto-enol tautomeric equilibrium constant for 2,3-dihydroxycyclopr

29 As expected, in conventional solvents, the tautomeric equilibrium is enthalpically disfavored and e

30 elucidate the factors that contribute to the tautomeric equilibrium of the intramolecular proton tran

31 ontrol of at least three parameters: (i) the tautomeric equilibrium of the starting unprotected oses,

32 The tautomeric equilibrium of these 3-acyltetramic acids in

33 A modification-dependent shift in the tautomeric equilibrium toward the rare imino-oxo tautome

34 shifts and by potential perturbation of the tautomeric equilibrium within biomolecules.

35 ating, after condensation with the amine and tautomeric equilibrium, the corresponding pyrrole-ring u

36 tone and the carbanion both interlocked in a tautomeric equilibrium.

37 out Raman experiments also demonstrated that tautomeric exchange between the Delta (1) and Delta (2)

38 urea N-H fragment to the anion, to give the tautomeric excited complex [L...H-X](-)*, which emits at

39 dicate that H24 is present in the rare delta tautomeric form and remains neutral until N unfolds to I

40 SHQ exists predominantly in a keto-hydrazone tautomeric form at applied potentials that are negative

41 It was used (1) to determine the tautomeric form of guanine that produces strong fluoresc

42 by promoting the formation of the rare enol tautomeric form of guanine.

43 known to suffer as a consequence of a minor tautomeric form of isoguanine that pairs with thymine, a

44 vely, indicating the involvement of the keto tautomeric form of N7mdG in the base pairings with dC an

45 a wobble geometry, suggesting that the enol tautomeric form of N7mdG involves in its base pairing wi

46 d anti:syn base pair presumably via the enol tautomeric form of N7mdG.

47 characteristic of the 1',4'-iminopyrimidine tautomeric form of ThDP (commonly observed when ThDP for

48 ted that ZTRS bound Zn(2+) in an imidic acid tautomeric form of the amide/di-2-picolylamine receptor

49 rbs maximally at 420 nm, while L-Cys gives a tautomeric form of the external aldimine that absorbs at

50 residues depend on the protonation state and tautomeric form of the imidazole ring, making them excel

51 in hydrophobicity as well as changes in the tautomeric form of the nucleobase to resemble adenine.

52 for a coenzyme to be identified in its rare tautomeric form on its reaction pathways, yet this has b

53 mtosecond time scale and decays to the final tautomeric form on the picosecond time scale.

54 mes has enabled us to assign the predominant tautomeric form present in individual intermediates on t

55 the protonation state of NR and thus of the tautomeric form that is present in the enzyme-NOHA compl

56 nk DNA by direct reaction with a G-base in a tautomeric form with synchronous ring opening of the oxa

57 fluorohistidine can also serve as probes of tautomeric form within biomolecules, both by monitoring

58 w that His187 is held in the N(epsilon)()2-H tautomeric form, consistent with the crystallographic ob

59 tituents lead almost exclusively to a single tautomeric form, the 1H-3H or the 2H-3H, respectively.

60 tle compounds prefer to exist in their azine tautomeric form.

61 catalyst involving its 1',4'-iminopyrimidine tautomeric form.

62 between the calculated and the experimental tautomeric form.

63 TM ions were bound to the sensor in an amide tautomeric form.

64 ne (2,4-pentanedione, 1) is a molecule whose tautomeric forms are in dynamic equilibrium.

65 In the case of the phenol substituent, both tautomeric forms are present in comparable amount in sol

66 he experimental geometric parameters of both tautomeric forms are reproduced very closely by B3LYP/au

67 s an inseparable mixture of two keto-enamine tautomeric forms featuring C(3h) and C(s) rotational sym

68 ZnF adopts a C2H2 coordination with unusual tautomeric forms for the coordinating histidines.

69 pulated one, whereas the distribution of the tautomeric forms for the imidazole ring varies significa

70 Coexistence of different tautomeric forms in the same crystal structure may expla

71 s presenting a dense pattern of isomeric and tautomeric forms in their spectra that can be investigat

72 Fine control of the tautomeric forms of [1,2,4]triazolo[3,2-c][1,2,4]triazol

73 to 7.5 and (ii) to estimate the fraction of tautomeric forms of eight histidine-containing dipeptide

74 dithionite resulted in the formation of two tautomeric forms of emodin hydroquinone.

75 us (i) to determine the fraction of all the tautomeric forms of histidine for eight proteins for whi

76 Considering the two tautomeric forms of histidine, it was found that 2-fluor

77 The two tautomeric forms of N-confused tetraphenylporphyrin (NCT

78 The questions of whether different tautomeric forms of nucleic acid bases exist to any sign

79 that the blue and near-UV photopigments are tautomeric forms of RGR, in which an all-trans-retinal S

80 ctronic spectroscopy to identify the various tautomeric forms of the 4'-aminopyrimidine ring on four

81 kage with d-ornithine and DAB generates both tautomeric forms of the external aldimine, but with D-or

82 mical trapping of four of the seven possible tautomeric forms of the heterocycle by mono- and dialkyl

83 is proposed to determine the fraction of the tautomeric forms of the imidazole ring of histidine in p

84 lend support to the proposal that the minor tautomeric forms of the natural bases may play an import

85 sts the importance of an equilibrium between tautomeric forms of the substrate, with the protonation

86 both the aminopyrimidine and iminopyrimidine tautomeric forms of thiamin diphosphate on enzymes has e

87 phate enzymes for the various ionization and tautomeric forms of this coenzyme on four enzymes: benza

88 ween the phenolic and protonated Schiff base tautomeric forms of this intermediate.

89 Herein, we report the pH dependence of these tautomeric forms providing the first data for the intern

90 t drug, can exist in solution in 40 distinct tautomeric forms through both prototropic tautomerism an

91 he symmetrical diketo and the beta-keto-enol tautomeric forms were purposely isolated and tested in v

92 ins can all potentially exist in a number of tautomeric forms, but little is known about these specie

93 ity, a C or an (m)C in a CPD can adopt three tautomeric forms, one of which could code as T.

94 the N3 and N1 positions of the keto and enol tautomeric forms, respectively.

95 g between fluorescein and naphthofluorescein tautomeric forms.

96 now available for kinetic monitoring of both tautomeric forms.

97 d 2 can be observed in unprecedented valence tautomeric forms.

98 ronment of the histidines in determining the tautomeric forms.

99 sionally occurring in one of its less likely tautomeric forms." Indeed, among many mispairing possibi

100 on to the a and d positions creates "valence tautomeric frustration" and strongly perturbs the molecu

101 and, and a bound water), but their histidine tautomeric geometries markedly differ such that the carb

102 Tautomeric isomers and conformers of 2-nitrovinyl alcoho

103 The relative stabilities of the tautomeric LAH adducts are compared to the tautomer pref

104 (ii) Histidine tautomeric metal bonding patterns in ligating zinc ions

105 revealed that adduct I in WT and D383N is a tautomeric mixture where the hydrazone form is favored.

106 (aryl)/alkylimidazoles are shown to exist as tautomeric mixture, however, their subsequent alkylation

107 observations suggest a pathway in which the tautomeric mixtures 1a,b and 3a,b undergo rate-determini

108 aine 22a is -9.3 kJ/mol more stable than the tautomeric N-heterocyclic carbene 23a and that the energ

109 has Watson-Crick geometry consistent with a tautomeric or ionized base pair, with the pH dependence

110 ding those with modified nucleotides, in any tautomeric or protonation state.

111 This valence tautomeric phenomenon is supported by temperature-depend

112 The tautomeric population of NTBC in aqueous solution is dom

113 ral-NEA driven diastereomeric docking with a tautomeric preference enhances the hydrogenation activit

114 signed using quantum chemical methods, whose tautomeric preference toward the azine tautomer is in th

115 exhibit imidiazole group deltaN vs epsilonN tautomeric preferences.

116 effects at G2MP2 on the nitro <==> aci-nitro tautomeric process are also determined as are their pi-r

117 ssical keto <==> enol and imine <==> enamine tautomeric processes stabilizes the nitroethylene deriva

118 ulated equilibrium constants (pK(T)) for all tautomeric reactions.

119 The observed tautomeric rearrangement of 3,4-dihydroflavin may provid

120 The observed instability is attributed to a tautomeric rearrangement of the 3,4-dihydroflavin to gen

121 ortance of energetically preferred ionic and tautomeric representations of thiazol-2-amine derivative

122 the ratiometric imaging of Zn(2+) based on a tautomeric seminaphthofluorescein platform.

123 CO binding is found to induce a tautomeric shift of the PLP from the ketoenamine to the

124 indicated that all of them prefer the azine tautomeric state (by about 3-12 kcal/mol).

125 rostatic properties of ionizable groups, the tautomeric state and the pK(a) values of these histidine

126 In all variants, the dominant tautomeric state at neutral pH was the N(epsilon2) state

127 With the experimentally determined tautomeric state composition in solution, it will be pos

128 r studies of the role of proton transfer and tautomeric state in enzymatic mechanisms.

129 hat the existence of His-258 in the rare N1' tautomeric state is dependent upon occupation of the pho

130 This allows one to investigate the tautomeric state of histidines as well as their pK(a) in

131 sperm whale myoglobin (Mb) to determine the tautomeric state of its histidines in the neutral form.

132 In several cases, the tautomeric state of the imidazole ring could not be deri

133 m is consistent with the hypothesis that the tautomeric state of the pyrroline ring contributes to th

134 reas both E168Q and E211Q proteins alter the tautomeric state or catalyze ionization of bound TSP.

135 ambda-dynamics framework is used to devise a tautomeric state titration model for the CPHMD simulatio

136 on and response in 4'-aminopyrimidine ring's tautomeric state to intermediate formation, supporting t

137 H2...O2(T) hydrogen bonding in the transient tautomeric state.

138 reby ensuring that all ionization states and tautomeric states are accessible during the catalytic cy

139 Fluorine also enables assignment of tautomeric states in crystal structures.

140 The predictions of the tautomeric states of His12 and His48 and the conformatio

141 Two of four ionization and tautomeric states of ThDP are well characterized via cir

142 The pKa values and predominant tautomeric states of the imidazole rings of His26 (pKa a

143 The tautomeric states of the neutral histidine residues are

144 configuration within the channel; assign the tautomeric states of the SF histidine and arginine resid

145 icators of pH or pK(a), and the ratio of the tautomeric states.

146 of the protonated and deprotonated forms and tautomeric states.

147 (SA-COF), which undergoes solvent-triggered tautomeric switching.

148 ng a rare thermally induced two-step valence tautomeric transition from the Co(III)-(spiro(cat-cat))-

149 an unusual hysteretic thermo-induced valence tautomeric transition near room temperature, during whic

150 tone molecule can yield more sulfine and its tautomeric vinylsulfenic acid, which dimerizes in situ t

151 This is the first time a two-step valence tautomeric (VT) transition has been observed in solution