ライフサイエンスコーパス: energy of activation

1 I) and a free NO(2) radical via a small free energy of activation.

2 activation of ion translocation and not the energy of activation.

3 und thiamin diphosphate by reducing the free energy of activation.

4 inking rhodopsin significantly decreased the energy of activation.

5 states contributes significantly to the free energy of activation.

6 by 13 eu, and therefore with a similar free energy of activation.

7 ignificantly lower the computed overall free energies of activation.

8 m mechanically calculated aqueous phase free energies of activation.

9 ered in their K(m)s, thermal stabilities and energies of activation.

10 roach based on Bell's formula, but also free energies of activation.

11 tion is unlikely on the basis of unfavorable energies of activation.

12 NAC criteria were associated with the lowest energies of activation.

13 nsition-state analogues cannot capture large energies of activation.

14 , the copper oxyl sites with much lower free energies of activation.

15 s) displays an approximately 2.5-fold higher energy of activation (152 kJ/mol) compared with that obs

16 s show that 1) both processes require a free energy of activation; 2) unfolding is kinetically enthal

17 -5-p-tolyl-1,3(Z)-pentadiene has a corrected energy of activation 5.8 kcal mol(-)(1) lower than that

18 nential Arrhenius factors, and a significant energy of activation all suggest vibrationally enhanced

19 ns between the theoretically calculated free energies of activation and kexp for 31 reactions of Cl(*

20 The relative free energies of activation and transition structures for the

21 Hydrogenolysis has the highest standard free energy of activation and a weak dependence on H(2) press

22 tion of receptor activation in terms of free energies of activation, and generate mathematical predic

23 culate rate constants, phenomenological free energies of activation, and primary and secondary kineti

24 E = S), and +21 (M = Mo, E = S) and the free energies of activation are calculated to be deltaG() = +

25 opic and enthalpic contributions to the free energies of activation are found for both classes of sub

26 The calculated free energies of activation are in close agreement with those

27 The obtained Gibbs free energies of activation are in the range 7-22 kcal/mol.

28 The results for free energies of activation are uniformly in close accord wit

29 arsenate from uncharged bidentate complexes, energies of activation as high as 167 kJ/mol were encoun

30 version is, however, slow, with a Gibbs free energy of activation as high as 28.5 kcal/mol at the B3L

31 The free energy of activation at 25 degrees C was found to be 62.

32 VDZ//(U)M06-2X/cc-pVDZ level of theory, free energies of activation (at 1000 degrees C) range from ca

33 ity is demonstrated, based on competing free energy of activation barriers for the elongation and ter

34 on reactions are substantial with Gibbs free energies of activation between 19 and 40 kcal mol(-1).

35 The free energy of activation by MgADP for this heterotropic inte

36 ltiple linear regression shows that the free energies of activation correlate well with descriptors l

37 Consequently, the free energy of activation (delta G++) for association and dis

38 hat the various substituents affect the free energy of activation, Delta G(++), for dehydrogenation.

39 sfer was identified from changes in the free energy of activation, Delta G(++), with osmotic pressure

40 titution and Ca(2+) vacancies lower the free energy of activation (DeltaA(*)) compared to pristine ca

41 The value of this difference in energies of activation (DeltaDeltaG++) is quite consiste

42 nthalpies of activation DeltaH( ), and Gibbs energies of activation DeltaG( )) were calculated for al

43 The resulting energy of activation DeltaG()rot reflects the spatial re

44 rally exhibit equilibrium dynamics with free energies of activation (DeltaG(double dagger)) for the s

45 The surprisingly low energies of activation (DeltaG++ = 52-57 kJ mol(-1)) for

46 The free energy of activation (DeltaG()(exch)) for the dipotassiu

47 the various substrates, we computed the free energy of activation (DeltaG()) for the cycloaddition an

48 sulfate contributed a large part of the free energy of activation (DeltaG(*)) for the overall reactio

49 The values of free energy of activation (DeltaG(++)) could describe the val

50 rameters for the kinetic process gave a free energy of activation (DeltaG) of 19.3 +/- 1.2 kcal mol(-

51 That is, the energies of activation determined for cyclic propylene c

52 We report a remarkable identity of the energies of activation (E(a)) for the Stokes shifts deca

53 The energy of activation (E(a)) calculated in the range of 3

54 The energy of activation (E(a)) of extracted PPDK was lower

55 The energy of activation (E(a)) was calculated to be 25-29 k

56 Using wild-type enzyme, the energy of activation (Ea) for 9,10-PQ reduction was appr

57 indicates that 80% of the reduction in free energy of activation effected by TrpRS arises from prote

58 Free energies of activation for all elementary reactions are

59 rom these curves, the rate constants and the energies of activation for association (k(on), E(on)) an

60 rom these curves, the rate constants and the energies of activation for association (kon, Eon) and di

61 The apparent Gibbs energies of activation for chemical reactions that invol

62 ion can be attributed to the high Gibbs free energies of activation for forming and breaking bonds wi

63 rally correlated well with the observed free energies of activation for four diastereomers of the mod

64 The chiral properties and free energies of activation for racemization of the garuganin

65 kcat/KM measurements, the difference in free energies of activation for Suc-AAPX-pna when X is Lys+ a

66 The energies of activation for the association and dissociat

67 The energies of activation for the association and dissociat

68 Finally, by calculating the apparent thermal energies of activation for the backward rotations at dif

69 Free energies of activation for the combined hydrogen-bond br

70 The theoretically calculated free energies of activation for the groups of phenolates and

71 orrelation between the calculated Gibbs free energies of activation for the modeled reactions and the

72 The computed free energies of activation for the reactions in water and Tt

73 The difference in the free energies of activation for the two competitive reactions

74 ion calculations yielded differences in free energies of activation for the two polar protic solvents

75 In addition, the rates and free energies of activation for these processes were calculat

76 The parity of the determined free energies of activation for these two processes, namely 1

77 ects on activation parameters result from no energy of activation for all isotopes.

78 ect to lower stress, and would have a higher energy of activation for autolysis than chains aligned c

79 The energy of activation for boron transport into the plasma

80 The association reaction had a negative energy of activation for both compounds.

81 The energy of activation for cholesterol transfer was the sa

82 the case of these latter reactions, the free energy of activation for cyclopropanation tends to decre

83 nnulated norbornadienone, for which the free energy of activation for decarbonylation was a remarkabl

84 The energy of activation for denaturation of rhodopsin and c

85 At pH 6.9, PLP lowers the free energy of activation for deprotonation by 8.4 kcal/mol,

86 The extraction rate constant, energy of activation for diffusion, Biot number and ther

87 of the hydrate and is comparable to the free energy of activation for direct decarboxylation.

88 The free energy of activation for H(2) elimination (DeltaG(A)(+ +

89 The apparent energy of activation for HA elongation is about 15 kiloc

90 an be understood as steric influences on the energy of activation for ion fragmentation.

91 The energy of activation for irreversible inactivation was a

92 The calculated free energy of activation for mannosyl glycosylation (23 kcal

93 The free energy of activation for opacification is nearly identic

94 For AQP3 the Arrhenius energy of activation for Pf was 3 kcal/mol, whereas for

95 ing an Arrhenius plot, the value of the free energy of activation for racemization and deuterium exch

96 Most significantly, the free energy of activation for the conversion of WT+F12L human

97 The free energy of activation for the deacylation step is 16.7 kc

98 The differences in free energy of activation for the rate-determining hydrogen t

99 The energy of activation for the reaction was 8.4 kcal/mol,

100 the isolobal analogue Os(PH3)3H reduces the energy of activation for the rearrangement to 23 kcal/mo

101 roup along with nitrogen extrusion; the free energy of activation for this concerted process is only

102 is buried more in the surface, and the free energy of activation for this reaction is most similar t

103 NACs to NACs does not contribute to the free energy of activation from preorganization of the substra

104 The energy of activation governing f is strongly influenced

105 In contrast, the energy of activation governing k(off) is less affected b

106 The related Gibbs free energy of activation has been calculated as 22.6 kcal/mo

107 The resulting free energies of activation in methanol (DeltaG298 = 19.7 kca

108 Free energies of activation in six solvents have been compute

109 The resultant free energies of activation in solution are in close agreemen

110 ed chlorine kinetic isotope effects and free energies of activation in the wild-type and the Phe172Tr

111 ism, which has intrinsically high 298 K free energies of activation (in excess of 30 kcal mol(-1)), h

112 elated with quantum-chemically computed free energies of activation, indicating a selectivity of Br(*

113 nce between experimental and predicted Gibbs energies of activation is interpreted as the energy of c

114 degrees C for dissociation of methane (free energy of activation is 14.5 kilocalories per mole).

115 tion for dynamic reasons, and its Gibbs free energy of activation is 19.3 kcal/mol and remains higher

116 s the same trend as found for DMSO, and free energy of activation is calculated to be larger by about

117 The calculated free energy of activation is consistent with observed kinetic

118 py than the starting reactants, but the free energy of activation is dominated by a large negative TD

119 In this study, the free energy of activation is explored using the umbrella samp

120 (2200 M) > 4-t-BuBnI (35 M); thus, the free energy of activation is selectively decreased for organo

121 echanical calculations to determine the free energies of activation of ADMA and SDMA synthesis.

122 theoretically calculated aqueous-phase free energies of activation of single electron transfer and (

123 tween the overall free energies and the free energies of activation of the reactions, due to the sign

124 nts were further employed to obtain the free energies of activation of viscous flow per mole of the s

125 catalyze the elimination of H2O2 with a free energy of activation of 21.5 kcal/mol.

126 Nevertheless, with a predicted free energy of activation of 42 kcal mol(-1), the formation o

127 With a calculated free energy of activation of 5.2 kcal mol(-1) for the protona

128 -Cro with acetylene shows a reduction of the energy of activation of 6.9 kcal.mol(-1), which is not s

129 a radical mechanism with an associated Gibbs energy of activation of 91 kJ mol(-1) and a reaction ene

130 er, Arrhenius analysis demonstrated that the energy of activation of ion translocation was phospholip

131 2 to accurately quantify the changes in free energy of activation of the reaction for all possible am

132 acyl-enzyme intermediate-that lower the free energy of activation of the substrate transacylation rea

133 e at residue 42 has a reduced catalytic free energy of activation of up to 4.4 kcal/mol.

134 ature ions form upon irradiation, as the low energy of activation phosphate moiety cleavage transpire

135 Energies of activation ranged from 16-19 and 19-20 kcal/

136 monodentate surface complexes had Gibbs free energies of activation ranging from 62 to 73 kJ/mol, and

137 identate, binuclear complexes had Gibbs free energies of activation ranging from 79 to 112 kJ/mol and

138 mol(-1) K(-1), respectively, with Gibbs free energy of activation ranging from 97.5 kJ mol(-1) (100 d

139 Computed free energies of activation reproduce the preference for the

140 The free energy of activation required to bring the reactant clos

141 for cyclic carbonate formation has a larger energy of activation than the bimolecular enchainment pa

142 ers, the Rubisco Km for CO2 presented higher energy of activation than the maximum carboxylation rate

143 ionic mechanism, by contrast, has 298 K free energies of activation that are typically below 20 kcal

144 FEP calculations yielded differences in free energies of activation that well reproduce the experimen

145 y analysis of the adiabatic ET gives a Gibbs energy of activation that is equal to k B T at approxima

146 We compute the free energies of activation using the M06-2x, B3LYP, and HCTH

147 The approximate energy of activation values of the biosynthetic and rele

148 or - 0.2 s(-1), respectively, whereas their energy of activation values were 14.2, 15.5, and 18.5 kc

149 The energy of activation was found to be 12 and 15 kcal/mol

150 Substantial decreases in free energies of activation were found for both reaction mech

151 ow room temperature where negative effective energies of activation were found.