ライフサイエンスコーパス: be rationalized by

1 ch of TAML) catalysis of peroxide oxidations are rationalized by a two-step mechanism: Fe(III) + H2O2

2 enylpyrrolidine based dienophiles can easily be rationalized by a C2 symmetric transition state, seve

3 tion to access the benzofused azepines could be rationalized by a cascade reaction, including a nucle

4 This behavior could be rationalized by a change in conformational preference

5 endence for electron transfer that could not be rationalized by a change in distance or driving force

6 ide the micelle showed that this trend could be rationalized by a change in the orientation of the 4-

7 mates (chiral Weinreb amide equivalents) may be rationalized by a chiral relay mechanism.

8 The observed regio- and stereochemistry can be rationalized by a combination of kinetic and thermody

9 g strength of the Abeta(1-42) aggregates can be rationalized by a Cu(II) coordination sphere constitu

10 ion path time for different proteins can all be rationalized by a diffusive process that we modeled u

11 ose that the outcomes of these reactions can be rationalized by a dipole-minimized chair transition-s

12 andelate of LCHAO, GOX, FCB2, and MDH cannot be rationalized by a hydride transfer mechanism.

13 The loss in MS2 infectivity could be rationalized by a loss in genome integrity, which was

14 pecificity observed for the E461G mutant can be rationalized by a mechanism in which Glu-461 particip

15 This chiral cross-seeding can be rationalized by a model for seeded elongation featuri

16 human IAPP amyloid formation by rat IAPP can be rationalized by a model that postulates formation of

17 part from a simple shift in space, which can be rationalized by a time-space retardation in the ligan

18 of these tricarbontriphosphide radicals has been rationalized by a combination of experiments and DF

19 le the products formed in this reaction have been rationalized by a mechanism involving initial attac

20 This difference between hTK1 and TmTK is rationalized by a difference in the conformation of t

21 This finding is rationalized by a greater abundance of the unprotonat

22 The catalytic role of Arg-188 is rationalized by a hydrogen bond network close to the

23 The preference for loss of aryl radicals is rationalized by a hypothesis based on Bent's rules.

24 This is rationalized by a kinetic scheme coupling rapid confo

25 ter change in response to irradiation, which is rationalized by a larger number of photoinduced surfa

26 ere only monoalkylation products are formed, is rationalized by a mechanism involving the formation o

27 This preference is rationalized by a simple conceptual scheme based on t

28 of 6 and 2',3',5'-tri-O-acetyl-8-NO(2)()Guo was rationalized by a mechanism invoking formation of th

29 be the anti-diastereomer, and its formation was rationalized by a polar Felkin-Anh model.

30 This idea was rationalized by a theoretical noncovalent interactio

31 These changes were rationalized by a model in which the pool of non-he

32 The findings were rationalized by a synergistic use of NMR experiment

33 e outliers whose transport properties, could be rationalized by (a) nonpassive permeability processes

34 ual example of rare-earth photochemistry can be rationalized by absorptions involving the (eta(3)-C5M

35 iridium and osmium-osmium exchange rates can be rationalized by an analogue of the inner-sphere reorg

36 us factors, and the activation energy, could be rationalized by an environmentally coupled hydrogen t

37 into a mass spectrometer is established and is rationalized by analogy to the atmospheric transmissi

38 This unexpected high-pressure chemistry is rationalized by analyzing charge density and electron

39 nusual stereoselectivity of the reaction can be rationalized by assuming a stereospecific photochemic

40 s and chemical reactivities of 11 and 12 can be rationalized by B3LYP/6-31G(d) calculations on the tw

41 These results could be rationalized by biophysical data showing that heterod

42 These results are rationalized by calculation of stationary points on

43 This finding is rationalized by calculation of the polymer end-to-end

44 The results are rationalized by calculations of the ensemble average

45 These results could be rationalized by changes in their structures as determ

46 tage analysis, the role of tryptophan in ETp is rationalized by charge tunneling across a heterogeneo

47 in substrate and inhibitor specificities can be rationalized by comparing the AOX3 and xanthine oxida

48 The occurrence of a redox reaction can be rationalized by comparing the redox potential of the

49 This observation was rationalized by comparing the extent of hydrogen bon

50 These observations are rationalized by comparison to the sequence-analogous

51 The resulting correlations can be rationalized by comparison of solved structures of HM

52 ects of different Lewis acidic metal halides are rationalized by competitive reaction pathways procee

53 The crystal structures can be rationalized by computational lattice-energy searches

54 This result is rationalized by computational studies of the differen

55 The results are rationalized by computations describing electron den

56 The results and trends are rationalized by consideration of the structural and

57 ion, ethylenediamine-inspired PFT inhibitors were rationalized by consideration of the X-ray crystal

58 The observed metrical changes are rationalized by considering a qualitative, delocaliz

59 These vibrational characteristics are rationalized by considering the balance between the

60 These results can be rationalized by considering additive binding to kink

61 ptation of the ABC transporter structure can be rationalized by considering CFTR as a hydrolyzable-li

62 Our results can be rationalized by considering DNA/pore interactions as

63 The findings can be rationalized by considering that just after dissociat

64 constant reported to date for a PCu and can be rationalized by considering the altered distribution

65 These nonadditivities may be rationalized by considering the effects of peptide le

66 These distinctions can be rationalized by considering the impact of the amino a

67 duration of action time courses, which could be rationalized by considering the lipophilicity, potenc

68 petition between extended and compact states is rationalized by considering differences in charge sta

69 associated with the unique ECL mechanism and is rationalized by considering the limited lifetimes of

70 The origin of these effects is rationalized by considering the Maxwell stress arisin

71 ation features and optical properties, which was rationalized by control experiments using compounds

72 ing, or association (the inverse of doping), are rationalized by counting all species in the condense

73 rearrangement of the aryl groups, which can be rationalized by density functional theory (DFT) calcu

74 The experimental results have been rationalized by density functional theory calculati

75 rs upon mixing cages with opposite chirality is rationalized by density functional theory calculation

76 n on the compounds' photophysical properties were rationalized by density functional theory calculati

77 The SAR was rationalized by deriving a plausible binding pose fo

78 tion of acrylamide to N-methylnitroacetamide are rationalized by detailed in situ kinetic analysis.

79 These complementary methods could be rationalized by DFT calculations and are convenient s

80 reference for this mechanistic pathway could be rationalized by DFT calculations.

81 dditives and organocatalysts, whose role has been rationalized by DFT calculations and chemical proof

82 This has been rationalized by DFT calculations that show that maj

83 These results have been rationalized by DFT calculations, which show that e

84 The vinylogous gem effect is rationalized by DFT calculations showing that biradic

85 2-bis(aryl)methylpyrrolidine catalyst which was rationalized by DFT calculations.

86 rmed by X-ray diffraction, and its formation was rationalized by DFT calculations.

87 from native-state hydrogen exchange, and can be rationalized by differences in intrinsic helix propen

88 The observed product profiles can be rationalized by differences in substrate binding as d

89 This interpretation is rationalized by direct analysis of the water content

90 earing C1 substitutions were inactive, which was rationalized by docking studies using the recently d

91 ed that adduct-induced G --> T mutations can be rationalized by either misinformational or noninforma

92 These unique photophysical behaviors are rationalized by electronic configuration coupled con

93 The findings are rationalized by electronic structure calculations us

94 ective pathway observed for 1a but not in 1b is rationalized by electronic and conformational differe

95 he Ca2+ releasing activity of Ins(1,3,4,6)P4 was rationalized by envisaging two alternative receptor

96 ty trend at the coordinating nitrogen center were rationalized by estimating the electronic (TEP (Tol

97 These structure-function effects are rationalized by evaluating the conformation adopted

98 he selectivity of the sigma-dimer formation, is rationalized by evaluating the aromaticity of the res

99 The formation of the tricyclic product was rationalized by evaluation of energy barriers for pr

100 ovel dyes in relation to those of PM567 have been rationalized by extensive use of DFT and TD-DFT usi

101 The abnormal A(D)/A(T) is rationalized by extensive tunneling.

102 Transport difference within this family is rationalized by film morphology, as accessed by grazi

103 A solutions with the addition of calcium can be rationalized by formation of more weakly bound Fe(II)

104 Structural, solvent, and isotope effects can be rationalized by heterolysis accompanied by NSA.

105 maintaining A3AR affinity and efficacy could be rationalized by homology modeling and docking of thes

106 governed by the membrane thickness but could be rationalized by hydrophobic interactions of lysines a

107 f the CAL-B active site for the R-enantiomer was rationalized by in sillico docking studies.

108 nation, whereas the (13)C hyperfine coupling was rationalized by incongruent alpha and beta spin flow

109 the different substitutions could not easily be rationalized by interactions with cAMP and might, in

110 This can be rationalized by invoking a bis-pericyclic transition

111 e large pre-edge area observed for MMOHQ may be rationalized by invoking an open-core structure with

112 Their appearance can be rationalized by invoking the formation of a series of

113 icyclic nucleus, and biological sequelae can be rationalized by invoking the liberation of a common,

114 ing stability of the "para tetraradical" can be rationalized by its moderate extent of radical charac

115 t the molecular evolution of haemoglobin can be rationalized by its nitric oxide related functions.

116 cretory cells, and its absence in yeast, can be rationalized by lower trafficking of secretory protei

117 These findings are rationalized by means of molecular dynamics simulati

118 s of thiirane with secondary amines can best be rationalized by means of an interplay of steric and p

119 The mechanism for the formation of 3 was rationalized by means of DFT calculations, which hig

120 SARs data were rationalized by means of an advanced docking protoc

121 oism and UV studies and the results obtained were rationalized by means of DFT calculations.

122 yl bond rotation on the activity/selectivity were rationalized by means of X-ray crystallography of t

123 The observed stability trends are rationalized by mechanistic considerations of the re

124 erences between proton and hydride transfers are rationalized by modeling the central .C...H...C unit

125 ecreased inhibitory activity, and this could be rationalized by modeling based on the known fumagilli

126 This preferential positional reactivity can be rationalized by modeling of the substrates into the k

127 Structure-binding affinity relationships can be rationalized by molecular modeling of ligand complexe

128 a-D-galactopyranosides observed by TEM could be rationalized by molecular modeling.

129 This finding was rationalized by molecular dynamics simulations using

130 These findings were rationalized by molecular docking, which recognized

131 firmed helical structures in micelles, which were rationalized by molecular dynamics calculations.

132 The experimental findings were rationalized by molecular dynamics simulations.

133 The mechanism is rationalized by negligible metal d orbital contributi

134 for experimental observations that could not be rationalized by NMR structural data, including the st

135 This behavior can be rationalized by opposing mesomeric and steric effects

136 nts, and the reversal for H and F migration, are rationalized by orbital analysis based on the ipsoce

137 otein to protein and that this variation can be rationalized by our Monte Carlo diffusion model.

138 This result is rationalized by our finding that, although they are p

139 lactarate that competes with dehydration can be rationalized by partitioning of the enolate intermedi

140 This pH effect is rationalized by polar effects: the lower the pH, the

141 ncy between the in vivo and in vitro results is rationalized by proposing that various excision repai

142 regioselectivities for nucleophilic opening are rationalized by quantum mechanical DFT calculations

143 These trends are rationalized by quantum-mechanical calculations that

144 with HCl to give mainly the cis-chlorohydrin is rationalized by quantum chemical calculations that su

145 H(2)O)(0-6) and PABAOMeH(+).(H(2)O)(0-2) can be rationalized by resonance delocalization.

146 This behavior is rationalized by resonance structures hindering fast r

147 The observed differences in potency are rationalized by semiempirical calculations of intram

148 Our observations are rationalized by sequence homologies between the fola

149 ed by EDD of the tetrasaccharide epimers can be rationalized by simple alpha-cleavage of an oxy radic

150 erent substituents, and these effects cannot be rationalized by simple physicochemical parameters.

151 ry for efficient production of artemisin has been rationalized by state-of-the-art DFT calculations a

152 The sorting of Cholera toxin subunit B is rationalized by statistical models.

153 The selectivity, in this case, can be rationalized by steric and hyperconjugative effects.

154 nt natural product capsaicin have previously been rationalized by subdivision of the molecule into th

155 These data cannot be rationalized by superexchange, hopping of a localized

156 tonin receptors (MT1R and MT2R), and results were rationalized by superimposition studies of their st

157 -x)Sn(x)Bi(2)Se(4) solid-solution series can be rationalized by taking into account: (1) changes in t

158 by mutagenesis, decorate the active site and are rationalized by the ternary structure.

159 ver, the stereochemistry of the reaction can be rationalized by the ability of the ortho ester to iso

160 This selectivity can be rationalized by the crystal structure of ColH with th

161 plasticity of transition-state structure can be rationalized by the different helix-forming propensit

162 Conformational changes in helix 1 can be rationalized by the distinct function of phosphoryl t

163 tudy, the differences in the CID spectra can be rationalized by the fact that the complex electrospra

164 Its role in transcriptional regulation may be rationalized by the fact that transition from vegetat

165 These findings can be rationalized by the glycan-carrying 99-loop that pref

166 This energy difference could be rationalized by the greater capacity of the acetyl gr

167 The increased activity upon mutations can be rationalized by the interactions of the amino acid si

168 mework (MOF) performance properties can only be rationalized by the mechanical properties endowed by

169 PH functions by the N-terminal sequences can be rationalized by the observation that the N-terminal 4

170 titution at primary alkyl halides, which can be rationalized by the relatively longer P-C bonds.

171 olves significant director deformations, can be rationalized by the saddle-splay contribution to the

172 its ability to form DNA-DNA cross-links may be rationalized by the spatial relationships between the

173 he four bases in the 5'-CG*T-3' sequence can be rationalized by the stability of interactions between

174 These results can be rationalized by the stronger binding energy of adsorb

175 e catalytic inactivity of the GAT domain can be rationalized by the substitution of the Triad cystein

176 This non-canonical role has recently been rationalized by the findings that mammalian cohesin

177 guous spectral analyses, the size effect has been rationalized by the size-dependent d-band electron

178 The results have been rationalized by the structure energy calculations o

179 crosslink > psi, the apparent inconsistency is rationalized by the difference between each method's

180 The intriguing effect is rationalized by the formation of a hydride-bridged Ru

181 Instead, enhanced enantioselectivity is rationalized by the modification of the second coordi

182 ferase activity upon Thr-418 phosphorylation is rationalized by the structures presented here.

183 pathway to E selectivity in these reactions is rationalized by the Vedejs model of Wittig reaction s

184 n, while reactivity of the key intermediates was rationalized by the analysis of the electrostatic po

185 In the former case, this was rationalized by the drive to minimize torsional stra

186 Rather, it was rationalized by the inherent internal energy differe

187 onversion was observed for H(2)@C(60), which was rationalized by the significantly shorter triplet li

188 e and indole moieties in these two compounds was rationalized by the synthesis of compounds 4-7, 10,

189 These observations were rationalized by the electronic repulsions between a

190 The results were rationalized by the energy contributions of strain

191 These experimental results were rationalized by the results of theoretical calculat

192 -bond geometries in the DNA quadruplexes can be rationalized by their cation coordination of the G-qu

193 between the 1,2,4 and 1,3,4 regioisomers can be rationalized by their intrinsically different charge

194 e-binding TERT residues in a manner that can be rationalized by their postulated mechanisms of action

195 iciency of electron-poor heteroarenium salts is rationalized by their ability to readily form adducts

196 s as a proton-relay and strong pi-donor, and is rationalized by theoretical and experimental studies.

197 ese residues in membrane protein folding has been rationalized by thermodynamic partition measurement

198 These results can best be rationalized by this model, which suggests that the a

199 tty acids, and all clinical observations can be rationalized by this molecular mechanism.

200 ned experimental behavior of sulfonylallenes was rationalized by transition-state calculations which

201 These experimental findings are rationalized by transport calculations and also agre

202 These observations may be rationalized by treating the friction force as the su

203 destabilization of the alpha-helix that can be rationalized by using a single salt-free computer sim

204 stable or metastable equilibria and thus can be rationalized by using phase diagrams.

205 The binding of SW106 to the PPR was rationalized by using a homology receptor model.

206 The binding profiles were rationalized by using a recently reported x-ray cry

207 Many of the NOEs can be rationalized by water molecules located in the crysta

208 chemistry exhibited by the Cys variants can be rationalized by whether a stable Cu(I) species can be