ライフサイエンスコーパス: substituent effect

1 ed benzene ring except for the unpredictable substituent effects.

2 of receptors and for quantitative studies of substituent effects.

3 f bilanes were initially prepared to explore substituent effects.

4 hough the precise values were dependent upon substituent effects.

5 with this photocage are highly sensitive to substituent effects.

6 the substrate does not preclude substantial substituent effects.

7 in exchange coupling parameter J are due to substituent effects.

8 hink about reaction mechanisms and interpret substituent effects.

9 planar distortion actually arises from other substituent effects.

10 ions, in addition to the origin of hydrazine substituent effects.

11 highly sensitive to reaction conditions and substituent effects.

12 and empirical (sigmam and sigmap) values for substituent effects.

13 m both external stimuli by acid and internal substituent effects.

14 rm), although their strength is sensitive to substituent effects.

15 y, nucleophilicity, allotrope stability, and substituent effects.

16 Substituent effects allow lifetimes to increase into the

17 ttached have been considered as the indirect substituent effect and investigated by means of the cSAR

18 pi(CS) --> pi*(ring), exhibits a substantial substituent effect and lambda(max) ranges from 333 (X =

19 trinsic electronic structures and electronic substituent effects and are not largely affected by conf

20 tion on relationships between oligothiophene substituent effects and electronic response properties.

21 This model now incorporates substituent effects and includes the effects of conforma

22 New experimental data on substituent effects and rates of reactions in several so

23 Substituent effects and temperature-dependent variations

24 ions (B3LYP/6-31G(d)) were used to study the substituent effects and the concertedness of the alkenyl

25 (Rev) mechanism includes isotope scrambling, substituent effects, and sulfene trapping.

26 These powerful substituent effects appear to be suitable for the synthe

27 ligands, and lack of bioisosterism for this substituent effect are key phenomena for these hypothese

28 We find that these substituent effects are additive, for example, a 2,6-dii

29 tether connecting the alkyne and allene and substituent effects are also discussed.

30 Substituent effects are also insensitive to the introduc

31 ad range of stacked dimers, it is shown that substituent effects are better described as arising from

32 rast to popular, intuitive models, trends in substituent effects are explained primarily in terms of

33 Substituent effects are illustrated by comparing the C-C

34 Visual representations of substituent effects are presented by considering the loc

35 The substituent effects are quantified by a field reaction c

36 lel condensed phase data indicating that the substituent effects are rooted in the nature of the alky

37 ituted benzene is relatively unimportant and substituent effects arise from direct through-space inte

38 The origins of the observed substituent effects as well as the implications of these

39 context of (a) possible intrinsically small substituent effects (as determined by (13)C chemical shi

40 The keto, imine, and vinyl substituent effects at G2MP2 on the nitro <==> aci-nitro

41 An investigation of substituent effects at the 2-position of the imidazole m

42 for the analysis of a much greater range of substituent effects because they can also account for pr

43 r to examine the predictive character of the substituent effect by these indexes, a comparison betwee

44 the elimination mechanism (syn or anti), not substituent effects, determined the configuration of the

45 The substituent effect does not, however, detectably change

46 Detailed investigations on the substituent effects during the electrophilic iodocycliza

47 ical properties and showed a more pronounced substituent effect for oxidation than for reduction.

48 Finally, substituent effects for alkenes and alkynes are compared

49 led computational study on the mechanism and substituent effects for DDQ-mediated oxidative C-H cleav

50 The magnitude of the 4'-substituent effects for electron-donating substituents s

51 provides clear, unambiguous explanations of substituent effects for myriad stacking interactions tha

52 of structure-reactivity data with electronic substituent effects for para-substituted benzylamines an

53 of structure-reactivity data with electronic substituent effects for para-substituted benzylamines an

54 Substituent effects have been exploited to produce an un

55 mputations; R = tert-butyl for experiments); substituent effects have been studied for the addition o

56 Substituent effects have been used to probe the characte

57 While electronic substituent effects have minimal impact on the catalytic

58 This additional substituent effect, highlighted for the first time, seem

59 nd biological activity, assess additivity of substituent effects, identify missing analogs and screen

60 Evaluation of the substituent effect in reaction series is an issue of int

61 In contrast, a competitive substituent effect in the TS for ring inversion of 1,4-d

62 We uncovered a fundamental substituent effect in which electron-withdrawing meta-ox

63 ure-activity relationship (SAR), revealing a substituent effect in which regiosubstitution on the ter

64 Substituent effects in 1,3-dipolar cycloadditions of azi

65 The substituent effects in 2-acylamino- and 2,4-bis(acylamin

66 Based on a study of competitive substituent effects in a Claisen-Schmidt reaction, inter

67 is in conflict with popular models in which substituent effects in aryl-aryl interactions are modula

68 ective Diels-Alder cycloadditions that probe substituent effects in aryl-aryl sandwich complexes were

69 Substituent effects in cation/pi interactions have been

70 attributed to pi polarization, the trend in substituent effects in cation/pi interactions is capture

71 n model provides a simple means of analyzing substituent effects in complex aromatic systems and also

72 his entrenched view has been used to explain substituent effects in countless stacking interactions o

73 Substituent effects in N-H...O hydrogen bonds were estim

74 onsiderable controversy exists about whether substituent effects in pi-pi interactions can be underst

75 Popular explanations of substituent effects in pi-stacking interactions hinge up

76 Consequently, substituent effects in stacking interactions are additiv

77 r a semiquantitative understanding of methyl substituent effects in terms of perturbation theory, the

78 explained using a recently proposed model of substituent effects in the benzene sandwich dimer in whi

79 The prevailing views of substituent effects in the sandwich configuration of the

80 not appear to play a significant role in the substituent effects, in accord with previous experiments

81 Here, the substituent effect is a Coulombic interaction (field eff

82 In these compounds, the substituent effect is essentially invariant and the amou

83 The substituent effect is explained with valence bond models

84 Only a small fraction (ca. 7%) of the 2-OH substituent effect is expressed in the ground-state Mich

85 comparison of experimental and computational substituent effects is complicated by formation of Au-co

86 origin of these cooperative and competitive substituent effects is discussed.

87 ry; however, a novel anion dependence of the substituent effects is revealed in solution.

88 Sensitivity of the reaction to substituents' effects (materialized by Hammett's rho par

89 devices, in particular for the ways in which substituent effects may be used for maximum impact.

90 hat probe TS structure experimentally (i.e., substituent effects) may substantially perturb the TS th

91 This paper discusses catalyst optimization, substituent effects, mechanistic experiments, and the ch

92 Substituent effects observed in the course of the acid s

93 The NO2 substituent effect of about 11.4 kcal/mol at G2MP2 on bo

94 The substituent effect of different p-substituted triphenyls

95 These studies demonstrate that the intrinsic substituent effect of the perfluoroalkyl group on the lo

96 correlations, and computational analysis of substituent effects of arenes, each of which provided ad

97 n of the influences of position, charge, and substituent effects of the nitrogen atom of the N-hetero

98 he unsubstituted case provides insights into substituent effects of this prototype of pericyclic reac

99 mportant additional internal electronegative substituent effect on 3JCC in saccharides, a structural

100 ra-substituted benzenesulfonamides defined a substituent effect on binding affinity resulting from mo

101 rified by the lack of a calixarene upper-rim substituent effect on epoxidation rate.

102 A molecule-like substituent effect on redox formal potentials in the nan

103 The classical substituent effect on the association was studied.

104 e radical cations, thus explaining the small substituent effect on the C-S bond cleavage rate constan

105 ion led to the discovery of an unprecedented substituent effect on the diastereoselectivity of the Mo

106 zation, we were able to confirm the p-benzyl substituent effect on the electronic tunability of the s

107 Here we describe in detail a substantial substituent effect on this hydrolysis reaction.

108 computational GIAO-NMR techniques to explore substituent effects on (15)N (and (13)C) NMR chemical sh

109 uced by the Kirkwood-Westheimer treatment of substituent effects on acidity, but only if the bicycloo

110 ers, the electronic components of the phenyl-substituent effects on both the barrier heights and the

111 t in this area, an experimental study of the substituent effects on CH HBs has not been previously un

112 , and the dimer 10, in order to evaluate OMe substituent effects on directing electrophilic attack an

113 rface models which describe the interplay of substituent effects on enantioselectivity for a given re

114 at the reaction rates are controlled more by substituent effects on ground state stability than on tr

115 ions are in the proton-donating species, the substituent effects on pi-hydrogen bonding follow classi

116 Substituent effects on product yield and isomer ratio ar

117 We find that substituent effects on reaction rates show a linear Hamm

118 of the reaction stoichiometries and also of substituent effects on reactivity allow plausible mechan

119 biphenylylnitrenium ions 8a-c shows that 4'-substituent effects on reactivity in both sets of ions a

120 a number of experimental phenomena including substituent effects on reactivity, chemo- and regioselec

121 data set provides a comprehensive picture of substituent effects on solvent-free S(N)2 and E2 process

122 Substituent effects on the (15)N NMR chemical shift are

123 These results, particularly the different substituent effects on the 1 e(-) versus 2 e(-)/2 H(+) r

124 With regard to substituent effects on the 3-propynyl phenyl ring (Ar')

125 To investigate the origin of substituent effects on the acidity of benzoic acids, the

126 Substituent effects on the aldehyde suggest that it acts

127 romatic substitution, which was supported by substituent effects on the aromatic ring and a secondary

128 acilitating the direct investigation of aryl substituent effects on the aryl tetrafluorosulfanyl-subs

129 The substituent effects on the BDEs are affected by the stab

130 tarting point of this study of through-space substituent effects on the catalysis of the electrochemi

131 The impact of substituent effects on the conformational space was inve

132 ions allowed the separate examination of the substituent effects on the energies of the acids and on

133 uctures rationalize the observed solvent and substituent effects on the excited state lifetimes.

134 The phenyl-substituent effects on the experimentally measured activ

135 theoretical and experimental results; subtle substituent effects on the initial aza-Bergman cyclizati

136 lecules than by the indirect consequences of substituent effects on the intermolecular interactions.

137 Substituent effects on the phenylsulfonyl moiety (Ar) of

138 tudy provides valuable information regarding substituent effects on the photophysical properties of t

139 Diene substituent effects on the regiochemical and stereochemi

140 The substituent effects on the ring-opening reaction of cycl

141 en suggested, supported by the comparison of substituent effects on the same process occurring in ary

142 y (UB3LYP/6-31+G(d,p)) was used to determine substituent effects on the singlet-triplet energy gap fo

143 ry (UB3LYP/6-31G(d,p)) was used to determine substituent effects on the singlet-triplet-state energy

144 DROG) values provides a direct comparison of substituent effects on the stabilities of the singlet ca

145 and by the dominance of polar over resonance substituent effects on the stability of the transition s

146 Substituent effects on the strength of the aromatic inte

147 ed computationally, and it is shown that the substituent effects on the sulfoxide elimination reactio

148 present a simple rationale for the observed substituent effects on the thermodynamic stability of N-

149 ions on these chrysenes rationalize well the substituent effects on their HOMO and LUMO energy levels

150 The first kinetic studies and substituent effects on thermal cyclodimerization were pe

151 ure pyrolysis conditions, we also calculated substituent effects on these bond dissociation enthalpie

152 e the role of R (hydrocarbon) and R' (ligand substituent) effects on the reaction coordinate for C [b

153 e origins of the competitive and cooperative substituent effects, predicted for diradical 4, are disc

154 Analysis of substituent effects reveals that pi-donating dialkylamid

155 lly test the additivity of the electrostatic substituent effects (SEs) for the aromatic stacking inte

156 uding homodesmotic reactions in terms of the substituent effect stabilization energy (SESE), the pi a

157 Substituent effect studies implicate carbocation interme

158 The results of a substituent effects study support a mechanism wherein th

159 This paper describes the use of a substituent effects study to understand the mechanistic

160 n systems, which are dominated by electronic substituent effects such as resonance and hyperconjugati

161 This suggests that additional substituent effects, such as pi interactions, are operat

162 interactions are much less sensitive to the substituent effects than the corresponding nonheterocycl

163 al and computational investigations into the substituent effects that lead to regioselective addition

164 of experimentally and theoretically derived substituent effects, the design, synthesis, isolation, a

165 he applicability of an additive treatment of substituent effects to the analysis and design of HIV pr

166 pecificity, coupling reactions and molecular substituent effects to the construction of exceptionally

167 ern chemistry take advantage of carbon-based substituent effects to tune the sterics and electronics

168 In this work, substituent effects tune non-covalent interactions betwe

169 The substituent effect was analyzed using the Hammett consta

170 tt correlations, and the sensitivity of each substituent effect was found to be comparable to those o

171 Finally, the substituent effect was investigated in cell cultures exp

172 Judicious use of substituent effects was decisive.

173 Substituent effects were also studied; in general, elect

174 e, and pyridine were also modeled, and their substituent effects were compared to those of the coinag

175 Substituent effects were evaluated at the N-1, C-3, and

176 Further studies indicated that substituent effects were important in this compound seri

177 Various substituent effects were investigated to maximize the li

178 The ring size and substituent effects were investigated.

179 Substituent effects were muted compared to those in the

180 Catalyst and substrate substituent effects were probed by means of systematic p

181 onic properties are systematically varied by substituent effects which tune the intramolecular torsio

182 ward and reverse exchanges display identical substituent effects, which implies a concurrent bonding

183 of these processes show a linear response to substituent effects, which was demonstrated by the Hamme

184 o-exo selectivity is predicted to arise from substituent effects, while Z/E selectivity is a sensitiv

185 capped Au nanocrystals (NCs) exhibits strong substituent effects, with electron-donating substituents