ライフサイエンスコーパス: energy barrier

1 ce, while Lys needs to overcome a ~2 kT free energy barrier.

2 y hindered but occur with stimuli beyond the energy barrier.

3 ions form substituted hydroperoxides with no energy barrier.

4 sion, as N-inversion alone had a much higher energy barrier.

5 clocondensation reactions by lowering of the energy barrier.

6 lling owing to an inherently high activation energy barrier.

7 er of the reaction without changing the free energy barrier.

8 ntracted conformations by overcoming a small energy barrier.

9 the folding mechanism near the folding free energy barrier.

10 on the second timescale, with a significant energy barrier.

11 less likely due to its higher effective free energy barrier.

12 ncerted process can be discarded in terms of energy barrier.

13 requisite step, which requires overcoming an energy barrier.

14 n effective bypassing of the high twin-fault energy barrier.

15 d entropic components in the rotational free energy barrier.

16 for a transition across the major unfolding energy barrier.

17 nds to a 6-kcal/mol higher dissociation free energy barrier.

18 transient states that are separated by free-energy barriers.

19 ecay resulting from increasingly unreachable energy barriers.

20 AM) was used to calculate the diffusion free energy barriers.

21 s and exhibit similar effects but with lower energy barriers.

22 t separated from each other by sizeable free energy barriers.

23 e monomeric case, there are significant free energy barriers.

24 log has a very stable geometry without large energy barriers.

25 and that these paths do not have large free energy barriers.

26 in agreement with the available theoretical energy barriers.

27 cies can catalyze the reaction with feasible energy barriers.

28 ncerted migrations of multiple ions with low energy barriers.

29 the interfacial Cu diffusion with a moderate energy barrier (~1.2 eV).

30 the rate-limiting step, with a computed free energy barrier (18.7 kcal/mol, approximately 6 kcal/mol

31 The free energy barrier (18.8 kcal/mol) calculated for the rate-d

32 bly close to the experimentally-derived free energy barrier (~19.4 kcal/mol), suggesting that the obt

33 calculated to proceed with a low activation energy barrier (2 kcal/mol).

34 ather than cell surface because of the lower energy barrier (3.5 versus 36.2 kT).

35 roughness was examined under both favorable (energy barrier absent) and unfavorable (energy barrier p

36 site, a 4-nucleotide RNA experiences a free energy barrier along the same direction, potentially lea

37 Amine assistance lowers the free energy barriers along both paths, while thiol assistance

38 ovides several conformational forms with low energy barriers among them.

39 en by thermal excitation over the anisotropy energy barrier and a difference in the energy absorption

40 With increasing temperature, width of energy barrier and average life time increased for the i

41 d for entry into the nanotube, dominates the energy barrier and can be manipulated to enhance water t

42 y described using an Arrhenius equation with energy barrier and pre-exponential factor (attempt rate)

43 med from DFT calculations, and the simulated energy barrier and rate constants are consistent with ex

44 ncoming rNTP increases by 1 A, elevating the energy barrier and slowing polymerization compared with

45 ted C horizontal lineC double bond has a low energy barrier and that the lowest transition state and

46 tion of the system, including the transition energy barrier and triple line energy, to explain the un

47 state dominated by thermal excitations over energy barriers and a state with the hallmarks of a quan

48 ature dependence, detailed insights into the energy barriers and entropic contributions of the switch

49 This allows for manipulation of energy barriers and hence conductance in peptides, a cru

50 Comparison of energy barriers and ideal shear stresses suggests that t

51 -layer graphene proceeds with large computed energy barriers and is therefore thought to be unfavoura

52 r simulations characterizing the rates, free energy barriers, and mechanism of water evaporation when

53 ized and are not separated by important free energy barriers, and that this is facilitated by the fac

54 Due to a low diffusion energy barrier ( approximately 0.17 eV), the VI 's can r

55 ioxide, adsorption enthalpies and activation energy barriers are both decreased on fluorination, indi

56 parently affect the diffusion of Li, and the energy barriers are in the range of 0.25-0.42 eV.

57 nt nonclassical effects: the nucleation free-energy barriers are reduced eightfold compared with CNT,

58 rs consistent with ion transport over a free-energy barrier arising from ion dehydration and electros

59 lipid bilayers is usually prevented by large energy barriers arising from removal of the hydration sh

60 e to fluorination is mediated by larger free energy barriers arising from stronger binding of fluid m

61 functional theory calculations for obtaining energy barriers as a function of tip height and a Kineti

62 r fluorine-doped carbon, large internal free energy barriers as well as the results of MD simulations

63 noscale channel requires overcoming the free energy barrier associated with confinement.

64 t is effectively arrested by the large Gibbs energy barrier associated with nucleation.

65 ric composition of EF-Tu can reduce the free-energy barrier associated with the first step of accommo

66 chanism, thus revealing the close activation energy barriers associated with each pathway.

67 ple molecular statics approach to understand energy barriers associated with sliding and material rem

68 bility of multi-iron species to decrease the energy barriers associated with the activation of strong

69 , this framework demonstrates a lowered free energy barrier at the solid-solution interface in the pr

70 minant at short times, and a pronounced free-energy barrier at the transition from the epidermis to t

71 We found that the free-energy barrier at the transition state (DeltaF) correlat

72 The highest computed energy barriers at the cyclization-dehydration (17 kcal/

73 ouping structures that are connected by free-energy barriers below a certain threshold.

74 the transformation path, a remarkably small energy barrier between competing phases and the impact o

75 ima that slow diffusion over the global free-energy barrier between folded and unfolded states.

76 e for bulk crystals, with a large anisotropy energy barrier between in-plane and perpendicular-to-pla

77 play a role in lowering the transition state energy barrier between open and closed channel states.

78 At a concentration of 40 muM, the clear free energy barrier between the pre-fibrillar tetramer form a

79 r in the Lany-Zunger model, we determine the energy barrier between the states to be 27.7(4) meV, in

80 pha-to-beta) transition by lowering the free energy barrier between the two forms.

81 -to-active conversion, consistent with a low-energy barrier between the two states.

82 netics, suggestive of the crossing of a free-energy barrier between two phases.

83 The DFT calculated energy barriers between 0.3 and 0.5 eV for the reaction

84 model that can quantitatively determine the energy barriers between stable states in nonuniform magn

85 t work, site-directed mutants that alter the energy barriers between the activation states are used a

86 rmined solely by the relative heights of the energy barriers between the states.

87 in the diamond anvil cell, which lowers the energy barrier by "locking in" favourable stackings of g

88 The higher energy barrier calculated for the unsubstituted oxiranyl

89 Reduction potentials and free energy barriers calculated at the CPCM-B3LYP/6-31+G** le

90 from the other two pathways, as revealed by energy barrier calculations.

91 We also show how this energy barrier can be entirely eliminated through the op

92 We show that the heights of the activation energy barriers can be selectively changed by molecular

93 xide as feedstock in chemical synthesis, low-energy-barrier CO2 activation is a valuable tool.

94 hese steps, suggesting that there is a broad energy barrier consistent with the chain undergoing some

95 ither pulling direction needs to overcome an energy barrier contributed by the noncanonical triplex b

96 stabilizes the hybrid state and elevates the energy barriers corresponding to subsequent substeps of

97 nsition voltage spectroscopy showed that the energy barrier decreases as the length of the molecule i

98 d the competition between thermal energy and energy barriers defined by material disorder is not comp

99 We determined the Gibbs activation energy barrier DeltaG (double dagger)r that opposes prot

100 The height of these free energy barriers depends on the membrane composition, sug

101 ion supplies the free energy to overcome the energy barrier (determined here to be approximately 19 k

102 dau free energy polynomial and calculate the energy barrier (EB) for direct domain switching between

103 amer states based on the conformational free energy barriers, entropy, and probability flux reveals t

104 ed transport, activated slow dynamics across energy barriers, excess vibrational modes with respect t

105 the 12-lipoxygenating Ile418Ala mutant, the energy barrier for 15-lipoxygenation was 10 kJ/mol highe

106 itation initiation in Cu46Zr54 decreases the energy barrier for a cavitation event, leading to lower

107 The energy barrier for a single cis-trans isomerization is (

108 uggest a model where salt decreases the free-energy barrier for Abeta40 folding to the Fbeta state, f

109 se data enabled estimation of DeltaGCIA, the energy barrier for activating a thin filament regulatory

110 s ablate amyloid formation by increasing the energy barrier for amyloid assembly.

111 show that the calculated solution-phase free-energy barrier for C-C bond cleavage to form CO2 is decr

112 for the 15-lipoxygenating rabbit ALOX15, the energy barrier for C13-hydrogen abstraction (15-lipoxyge

113 e in the active site of OXA-24 can lower the energy barrier for carboxylation significantly.

114 ens the CO-metal bond, which will reduce the energy barrier for catalytic reactions, including CO oxi

115 ions may stabilize beta-sheets and lower the energy barrier for cross-species prion transmission, pot

116 ase NHC-CO2 bond distance and the Gibbs free energy barrier for decarboxylation is demonstrated.

117 state for association but increased the free energy barrier for dissociation.

118 ng process, and significantly lower the free energy barrier for dissociation.

119 as so far been conjectured to involve a free-energy barrier for entry, followed by a downhill translo

120 ists, which utilize linear modulation of the energy barrier for fusion to achieve supralinear effects

121 g the lipid bilayer and thereby lowering the energy barrier for fusion.

122 ic stability of the grains by increasing the energy barrier for grain-boundary sliding and rotation a

123 allel to the substrate and a decrease of the energy barrier for growth perpendicular to the substrate

124 excited state is utilized to provide a lower-energy barrier for hydrogen-atom transfer.

125 nt magnetic domain reversal showing that the energy barrier for magnetization reversal is drastically

126 CID is most likely due to the absence of an energy barrier for neutral ligand loss.

127 ents of NH3 but not of NH4 (+) and a reduced energy barrier for NH3 permeation through AQP4 compared

128 ergy analysis, revealing a considerable free energy barrier for NP translocation across the lipid bil

129 e is predicted to be the result of the lower energy barrier for oxidation of ornithine relative to th

130 ber of metal-oxo species can provide a lower energy barrier for oxidation reactions, leading to the c

131 aterials as a way to introduce an activation energy barrier for phase-change materials solidification

132 ated results indicate that MC exhibits a low energy barrier for proton conduction in IT-SOFCs.

133 tonatable residue greatly increases the free energy barrier for PT from E203 to the extracellular sol

134 tial of mean force calculations find no free-energy barrier for reaction of the toluene/NO2(+)BF4(-)

135 xhibit a blocking temperature of 11 K and an energy barrier for spin reversal of a thousand inverse c

136 eactive site of [B12 Cl11 ](-) results in an energy barrier for the approach of polar molecules and f

137 mass-modulated vibrations are linked to the energy barrier for the chemical step of catalyzed reacti

138 of the open-chain precursor and reducing the energy barrier for the formation of the macrocyclic prod

139 s occurs due to the absence of a significant energy barrier for the liquid-solid transition.

140 nal theory indicated a lower activation free energy barrier for the M isomer as compared to that for

141 e anion, the effect of the side chain on the energy barrier for the macrocyclization is very small.

142 In the first pathway, we find that there is energy barrier for the release of NO2 which prevent NO o

143 ecular brake' regions together impose a high energy barrier for this conformational rearrangement, an

144 The free-energy barrier for this electrocyclic route was shown to

145 The energy barrier for this reaction is substantially lowere

146 oward the intracellular cavity increases the energy barrier for translocation of Na(+) ions.

147 which create a large and highly cooperative energy barrier for unfolding and folding.

148 conformations without the need to cross the energy barrier for unfolding.

149 Calculated free energy barriers for 1 reasonably agree with experimental

150 RCCSD(T)/cc-pVDZ//UBLYP/cc-pVDZ free energy barriers for 1,4-H shifts at 298 K are consistent

151 semiconductor and reduce the PbS intergrain energy barriers for charge transport.

152 eaction of a pyridine substrate, the overall energy barriers for functionalization of the two positio

153 ative energies of the isomers as well as the energy barriers for isomerization were determined.

154 mechanical tension, which helps to overcome energy barriers for membrane apposition and drives cell

155 ic product was rationalized by evaluation of energy barriers for proton abstraction required to form

156 Significant large energy barriers for rearrangement to the closely related

157 e of the membrane is prevented by large free-energy barriers for the backflow reactions.

158 coupling followed by a dedimerization, with energy barriers for the rate-limiting step of 29.9 kcal/

159 Also affected were the Gibbs free energy barriers for the ring-flip and the N-inversion.

160 The energy barriers for the rotation of the 5-benzoyl group

161 ration are quantified in terms of activation energies (barriers) for thermally activated processes an

162 it includes a concentration independent free energy barrier >3 kcal/mol that represents the free ener

163 equilibration of the SAuPPh3 units, with an energy barrier half that of the SH analogue.

164 rain size and a considerable decrease in the energy barrier height after high-temperature annealing,

165 Evaluation of the grain size and the energy barrier height at the grain boundary shows an inc

166 Free-energy barrier heights calculated for critical steps in

167 henomenon in which a quantum state traverses energy barriers higher than the energy of the state itse

168 erforming a second thionation, although with energy barriers higher than the first one.

169 acts on particle deposition in absence of an energy barrier (i.e., high ionic strength).

170 pendent and does not agree with the computed energy barriers (i.e., TS2E() and TS2Z()).

171 lectrical field considerably lowers the free-energy barrier in the direction of F-form to I-form tran

172 east one intermediate state and at least two energy barriers in the aptamer-protein interaction.

173 more hydrophobic structures due to enhanced energy barriers in the disordered network of microporous

174 distance, electronic coupling strengths, and energy barriers in these mixed-valence compounds.

175 ic conversions but has to overcome high free-energy barriers in water.

176 e formation of a starting complex an without energy barrier, in which the lithium atom is coordinated

177 in order to further probe the nature of the energy barrier increase upon desolvation of Mn2Os.

178 ein side-chain relaxations but with the same energy barriers, indicating hydration shell fluctuations

179 own that the most reasonable one in terms of energy barriers involves two copper ions.

180 The decrease in the nucleation energy barrier is calculated, exhibiting its quantitativ

181 The energy barrier is controlled by a fundamental step/jog e

182 a molecular trajectory during which the free-energy barrier is crossed.

183 In addition, the calculated energy barrier is in agreement with the experimental ent

184 rate-determining step, and the obtained free energy barrier is in good agreement with the value deriv

185 t passes through a high but narrow potential energy barrier, leading to formation of a product that w

186 to nanodiamond surfaces with a low diffusion energy barrier, leading to uniformly deposited lithium a

187 of formation is used to lower an activation energy barrier, likely related to a rate-limiting confor

188 y is shown to be thermally activated with an energy barrier modelled from the interface wetting prope

189 olvents, suggesting that a solvent-dependent energy barrier must be surmounted to access the singlet-

190 sly, which is the rate-limiting step with an energy barrier of 0.47 eV.

191 sky mechanism), leading to a calculated free energy barrier of 17.9 kcal/mol, in good agreement with

192 r the SpnF-catalyzed reaction predict a free energy barrier of 22 kcal/mol for the concerted Diels-Al

193 s powders revealing a low thermal activation energy barrier of 22.6 kJ/mol.

194 tant catalytic effect, with a predicted free energy barrier of 23.3 kcal mol(-1) for potassium fluori

195 ix at the single-ion level, produces a large energy barrier of 256 cm(-1) and magnetic hysteresis up

196 lineC hydrogenation reaction has a high free energy barrier of 28.1 kcal/mol, requiring a high temper

197 vior at lower temperatures with an effective energy barrier of 40.5(7) K.

198 to 58 kJ/mol, compared to the conformational energy barrier of 42 kJ/mol for the wild-type pol beta r

199 n prefers an inter-carbonate pathway with an energy barrier of 8.0 kcal/mol at the B3LYP/6-31 G(d,p)

200 An activation free energy barrier of DeltaG(double dagger) = 24.9 +/- 3.3 k

201 chemisorbed CO2 (*CO2(delta-)), with a free energy barrier of DeltaG(double dagger)=0.43 eV, the rat

202 The energy barrier of epimerization was measured, suggesting

203 Phase-field simulation indicates that the energy barrier of ferroelastic switching in orthorhombic

204 temmed from a large reduction of the kinetic energy barrier of H atom adsorption on FeS(2) surface up

205 assuring a rapid charge transfer and optimal energy barrier of hydrogen desorption, and thus promotin

206 ng in increases of more than 30% in the free energy barrier of nucleation.

207 s well as of the C-terminal helix; (iii) the energy barrier of phospholipid extraction from the membr

208 ee energy and the smaller change in the free energy barrier of phosphoryl transfer found by QM/MM sim

209 Furthermore, we obtain the energy barrier of pinning which can induce the contact a

210 city, yielding binding probability, width of energy barrier of the binding pocket, and the kinetic of

211 The energy barrier of the conformational pathway varies from

212 s56-thiol result in an increase in the Gibbs energy barrier of the first thiol-disulfide exchange.

213 olanyi principle, it is demonstrated how the energy barrier of the PSC, which can be described as a c

214 The calculated free energy barrier of the reactions revealed that aniline an

215 neracy of the ground-state dipole rotational energy barrier of the system.

216 internal rotation occurs in a potential with energy barriers of 0.185 kcal mol(-1) These results were

217 Computer simulations reveal low energy barriers of 0.61-0.75 eV for aqueous proton trans

218 bstraction of the ortho proton proceeds with energy barriers of 12.4 and 13.3 kcal/mol for the pro-R

219 hrough a phosphorane intermediate, with free energy barriers of 2-4 kcal/mol for both steps; moreover

220 orbital of CO by the nitride with activation energy barriers of 24.7 and 11.3 kcal mol(-1) for uraniu

221 tion is found to be thermally activated with energy barriers of approximately 10-100 kJ mol(-1) depen

222 Rates and energy barriers of degenerate halide substitution on tet

223 Pore size change affects the energy barriers of ion dehydration as well as that of si

224 The free energy barriers of rotation, DeltaG(double dagger)298 =

225 Changes in pore size affected not only the energy barriers of size exclusion but that of ion dehydr

226 (P HC O3/ Cl ) of anion channels by reducing energy barriers of size-exclusion and ion dehydration of

227 Furthermore, we elucidate that the low energy barriers of the concerted ionic diffusion are a r

228 Overall, the energy barriers of the system under investigation are to

229 In general, energy barriers of up to ~5 kcal/mol were measured for r

230 brane and the protein to the activation free energy barriers of water diffusion next to the biomolecu

231 al almost thermoneutral CO2 binding with low-energy barriers or stable CO2 adduct formation depending

232 n adjacent layer along y via alternate lower energy barrier pathways.

233 These higher-energy barriers preclude Na(+) ions to permeate the sele

234 In the case of 5mdCyd, an energy barrier present on the main nonradiative decay ro

235 ble (energy barrier absent) and unfavorable (energy barrier present) conditions in an impinging jet s

236 structural topology with one of the largest energy barriers reported to-date for high-nuclearity 3d-

237 the atropisomers interchange dictated by the energy barrier required to do this.

238 ted with the N-isobutyl groups increases the energy barrier required to reach the most suitable confo

239 e and active states separated by a high free energy barrier resulting in switch-like activation.

240 l for catalysis: its removal raises the free energy barrier significantly (11 and 16 kcal/mol for gly

241 ith sliding revealed that there were smaller energy barriers sliding along <1[Formula: see text]10> a

242 The energy barriers so obtained can be used in the developme

243 e-centered cubic metals with high twin-fault energy barriers, such as Al, Ni, and Pt, but instead is

244 ed by the boundary has a significantly lower energy barrier than the other energy paths.

245 asure of D is the time required to cross the energy barrier that dominates folding kinetics, known as

246 herichia coli OMPs OmpLA and EspP creates an energy barrier that impedes membrane insertion.

247 shorter alternative folding pathways have an energy barrier that is [Formula: see text] times that of

248 aring them can be challenging because of the energy barrier that must be surmounted in order to bring

249 phenomenon by computational modeling of the energy barrier that the system must overcome at the stag

250 are two key factors that generate sufficient energy barriers that are responsible for the possibility

251 n a second they can tunnel through potential energy barriers that are several electron-volts high and

252 gly, application of the Bell model shows two energy barriers that correlate with the head and full le

253 x pore is formed in the membrane, with a low energy barrier, the release of cytochrome C may be readi

254 Through calculating energy barriers, the rate-determining step is the displa

255 l way to suppress leakage is to increase its energy barrier through four-way branch migration.

256 can be reversibly induced by overcoming the energy barrier through mild heating of the capsid, but l

257 of graphene with TiO2 reduces the diffusion energy barrier, thus enhancing the Na(+) intercalation p

258 esulted in the decrease in the height of the energy barrier, thus facilitating the release of the nan

259 measurements demonstrate that the activation energy barrier to autocatalytic surface reduction is hig

260 that the conserved TM6 proline helps set the energy barrier to both CFTR channel opening and MRP-medi

261 cation provides the ultimate boost over the energy barrier to catalysis of DNA synthesis.

262 o form a Michaelis complex and that the free energy barrier to chain threading is significantly lower

263 the excess proton must overcome a large free-energy barrier to diffuse to the His37 tetrad, where it

264 that the domain rearrangements decrease the energy barrier to fusion, illustrating the significance

265 ests that these mutations reduce the kinetic energy barrier to fusion.

266 the target cell and thus reducing a critical energy barrier to invasion.

267 ide interphase presents an exceptionally low energy barrier to ion transport, comparable to that of m

268 BPh4 ] (5), that shows the largest effective energy barrier to magnetic relaxation of Ueff =1815(1) K

269 , and three-way branch migration, with a low-energy barrier to maximize catalysis.

270 ploit four-way branch migration, with a high-energy barrier to minimize leakage, and three-way branch

271 kered; the result here was a relatively high energy barrier to N-inversion and a low barrier to ring-

272 , independently of any control over the free-energy barrier to nucleation.

273 y puckered; the result was a relatively high-energy barrier to ring-flip and a low barrier to N-inver

274 arrangement of donor atoms, exhibits a large energy barrier to spin reversal (770.8 K) and magnetic b

275 we deduce that the ligand layer serves as an energy barrier to the transport of incoming/outgoing rea

276 n and eliminate the approximately 3 kcal/mol energy barrier to TM domain opening and the approximatel

277 ase and in MeCN solution shows that the free energy barrier to transfer a proton between imino center

278 he virion, resulting in a smaller activation energy barrier to trigger DNA release.

279 Little is known about how cells overcome energy barriers to bring their membranes together for fu

280 lectronic structure associated with, and the energy barriers to dislocation cross-slip.

281 Unfavourable energy barriers to helium and hydrogen transfer indicate

282 Lanthanide compounds show much higher energy barriers to magnetic relaxation than 3d-block com

283 out this prediction and demonstrate that low-energy barriers to nucleation correlate with strong crys

284 advances, including systems with very large energy barriers to reversal of the magnetization, and a

285 inaphthalene-1,1'-diol diisobutyrate and the energy barriers to rotation about the pivotal aryl-aryl

286 se slow diffusion constants yield activation energy barriers to sliding approximately 2.8-3.6 kappa(B

287 on through intermediate oxaziridines present energy barriers too high to justify the observed experim

288 onal transition pathway reveal that the free energy barrier toward the occlusion step is considerably

289 Furthermore, under zero force, a low second energy barrier transiently traps SNAREpins in a half-zip

290 nd that the formation energies and migration energy barriers vary by defect type.

291 the arginine analog experiences a large free-energy barrier, very similar to those for Na(+), K(+), a

292 Action-CSA successfully overcomes large energy barriers via crossovers and mutations of pathways

293 d by charge tunneling across a heterogeneous energy barrier, via electronic states of alanine and try

294 rough spherical collectors in absence of an energy barrier was developed and validated.

295 ns are explained by permeation coefficients, energy barriers, water density and velocity distribution

296 evealed a large difference in the activation energy barriers when Li(+) was the countercation compare

297 m concerted transition state with a very low energy barrier, which rationalizes the high reaction rat

298 fusion pathways and to assess the main free energy barrier, which was found to be related to passing

299 r partition coefficient and greater entropic energy barrier while limiting the driving field strength

300 issociation energies and relative rotational energy barriers, with a difference of only 0.1 kcal/mol.