ライフサイエンスコーパス: tautomeric

1 Herein, the tautomeric 3-hydroxypyrazine/3-pyrazinone pair of favipi

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

3 Rare tautomeric and anionic nucleobases are believed to have

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

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

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

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

8 The tautomeric and structural properties of acetylacetone, C

9 GSHIPyA is also hypothesized to be tautomeric, and a hydrogen-deuterium exchange-high-resol

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

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

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

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

14 ngle or multicomponent mixtures to establish tautomeric configuration, conformation, and, to resolve

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

16 The tautomeric constant (KT) values at different temperature

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

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

19 that widely used density functionals predict tautomeric crystal polymorph energetics poorly, largely

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

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

22 carbonate and CAPS buffers indicate similar tautomeric distributions of the substrate in both buffer

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

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

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

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

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

28 The observed tautomeric equilibria have been rationalized with comput

29 cond histidine converted the protonation and tautomeric equilibria of H19 to be similar to the H37 be

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

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

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

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

34 N-methyl substituent effectively freezes the tautomeric equilibria to maximize interactions between t

35 sites, including hydrogen atom locations and tautomeric equilibria, NMR crystallography offers insigh

36 Due to tautomeric equilibria, NMR spectra of reducing sugars ca

37 The strange tautomeric equilibrium behavior exhibited by a new o-hyd

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

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

40 global polarity, that in turn modulates the tautomeric equilibrium of a distal imidazole, and hence

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

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

43 The tautomeric equilibrium of these 3-acyltetramic acids in

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

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

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

47 azidoazomethine-tetrazole (azide-tetrazole) tautomeric equilibrium.

48 or the double proton transfer, modifying the tautomeric equilibrium.

49 e chains have a significant influence on the tautomeric equilibrium.

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

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

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

53 the addition of a phenyl anion and then the tautomeric form >P-OH of the >P(O)H reagent to the Pd(2+

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

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

56 omerization to ensure ACMS is in the optimal tautomeric form for subsequent decarboxylation initiated

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

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

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

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

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

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

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

64 Additionally, a pure ketoenol tautomeric form of the active pharmaceutical ingredient

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

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

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

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

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

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

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

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

73 entity, intramolecular hydrogen bonding, and tautomeric form with high confidence.

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

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

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

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

78 ows a reverse PCET process that retains this tautomeric form.

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

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

81 between the calculated and the experimental tautomeric form.

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

83 hree different states: two different neutral tautomeric forms and a protonated, positively charged on

84 Galactose occurs in natural products in both tautomeric forms and presents all possible regioisomers

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

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

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

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

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

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

91 e function; however, determining whether the tautomeric forms function differently can only be studie

92 confirming the existence of p-quinonoid like tautomeric forms in a polar protic solvent.

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

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

95 e chromophore's microenvironment or multiple tautomeric forms may be responsible for the color tuning

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

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

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

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

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

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

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

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

104 insights into the relative stability of the tautomeric forms of side-on silaldimine transition metal

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

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

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

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

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

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

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

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

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

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

115 NA bases can adopt energetically unfavorable tautomeric forms that enable the formation of Watson-Cri

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

117 monstrate that DEPC reacts equally with both tautomeric forms to produce chemically different product

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

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

120 We identify a direct pathway between the two tautomeric forms, likely mediated by a bridging water mo

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

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

123 g between fluorescein and naphthofluorescein tautomeric forms.

124 now available for kinetic monitoring of both tautomeric forms.

125 lent alterations such as novel protonated or tautomeric forms.

126 in an equilibrium between the keto and enol tautomeric forms.

127 l emission spectra in the gas phase for both tautomeric forms.

128 derivatives and the separation of their two tautomeric forms.

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

130 ronment of the histidines in determining the tautomeric forms.

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

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

133 ches in two RNA:DNA hybrids transiently form tautomeric (Genol.T/U $ \mathbin{\lower.3ex\hbox{$\build

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

135 agent to supply the ligand via its trivalent tautomeric (>P-OH) form.

136 valuate the enhancement of two main effects: tautomeric isomerism and homoconjugation.

137 Tautomeric isomers and conformers of 2-nitrovinyl alcoho

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

139 mechanical or physicochemical properties of tautomeric materials.

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

141 ondensation of stereoisomeric and ring-chain tautomeric mixture of ( )-hydroxylactone 1 and 0.5 equiv

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

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

144 the reactive NI (~15 ppm) is present in the tautomeric mixture, underpinning the extraordinary stabi

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

146 ique insights for the further development of tautomeric molecular switches and motors, molecular logi

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

148 ounds and drugs, faces challenges due to the tautomeric nature of 2-pyridones, which complicates sele

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

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

151 This valence tautomeric phenomenon is supported by temperature-depend

152 rveying 18 additional examples, we find that tautomeric polymorph energy differences defy conventiona

153 FT models incorrectly identify the preferred tautomeric polymorphs of 2-thiobarituric acid and the an

154 We address the challenge of predicting tautomeric polymorphs through a general solution that co

155 Molecule 7 crystallizes in two tautomeric polymorphs: 7-1H tautomer (yellow) and 7-2H t

156 The tautomeric population of NTBC in aqueous solution is dom

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

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

159 exhibit imidiazole group deltaN vs epsilonN tautomeric preferences.

160 sess the chemical shift sensitivity of these tautomeric probes to the local environment, (19)F NMR sp

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

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

163 the guanine-cytosine (GC) base pair, but the tautomeric product (G[Formula: see text]C[Formula: see t

164 yields a smaller-molecular-weight deuterated tautomeric product ion, reducing the analyte ion m/z and

165 nd keto forms of indole-3-pyruvate (IPyA), a tautomeric product of aromatic amino acid metabolism.

166 correlation between the equilibrium ratio of tautomeric products generated by the asymmetric Michael

167 To evaluate the utility of tautomeric pyridone tags for (19)F NMR of biomolecules,

168 e predictive, we computationally studied two tautomeric quadruple hydrogen-bonded systems, DDAA-AADD

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

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

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

172 Despite having a tautomeric relationship and similar basicities, the nitr

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

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

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

176 gas-phase equilibrium could be observed for tautomeric species with two-dimensional ion mobility.

177 iimide diradical anions (:PDI(2-)) and their tautomeric spin-zero closed-shell quinoid isomers (PDI(2

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

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

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

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

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

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

184 Because the tautomeric state of histidine residues is often importan

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

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

187 state model and shed light on the preferred tautomeric state of the channel blocker.

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

189 rogen atoms, we were even able to detect the tautomeric state of the molecules at different temperatu

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

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

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

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

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

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

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

197 ond patterns and the prevalence of glutamine tautomeric states in dark-adapted (DA) and light-activat

198 the major groove, which requires alternative tautomeric states of either base, or an anionic state of

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

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

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

202 The tautomeric states of the neutral histidine residues are

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

204 ions of hydrogen bond patterns and glutamine tautomeric states were consistent with a BLUF reaction m

205 different carboxamide-rotameric and hydroxyl-tautomeric states, which could be essential for interpre

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

207 of the protonated and deprotonated forms and tautomeric states.

208 This "tautomeric strain" raises the energy of uracil, making u

209 have allowed us to determine the predominant tautomeric structure for the major cyclic ASA derivative

210 he many types of isomers, and differences in tautomeric structures confer altered chemical and biolog

211 sulfonimidamides in which it is possible for tautomeric structures to also be enantiomeric.

212 e of a conjugated proton crane, a reversible tautomeric switching molecule in which truly intramolecu

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

214 resonance structures for the aforementioned tautomeric systems that have seven-membered quasi rings

215 The tautomeric tag outperformed the conventional tag, 2-brom

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

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

218 iboflavin does not alter the distribution of tautomeric urate isomers, but its adsorption on NH(4)HU

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

220 Mononuclear monodioxolene valence tautomeric (VT) cobalt complexes typically exist in thei

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

222 N(2)H(2) to the (x)Het pendants to generate tautomeric [((x)HetH)TpCu](2)(u-N(2)) complexes, identif