ライフサイエンスコーパス: energy barrier

1 ng its hydrophobicity (Syt1(4W)), lowers the energy barrier.

2 ites, allowing a significant decrease in the energy barrier.

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

4 clocondensation reactions by lowering of the energy barrier.

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

6 d entropic components in the rotational free energy barrier.

7 for a transition across the major unfolding energy barrier.

8 r than helium and should experience a higher energy barrier.

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

10 rtion needs to overcome a prohibitively high energy barrier.

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

12 ions form substituted hydroperoxides with no energy barrier.

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

14 he expenses of a large increment on the free energy barrier.

15 re determined, with Pt leading to the lowest energy barrier.

16 ion that kicks the system over a single free-energy barrier.

17 to a diffusive escape process across a free energy barrier.

18 ound the Au(III) complex increases the Gibbs energy barrier.

19 d from the encounter complex by only a small energy barrier.

20 accelerate off rates by reducing transition energy barriers.

21 ne-first pathway is associated with feasible energy barriers.

22 in agreement with the available theoretical energy barriers.

23 cies can catalyze the reaction with feasible energy barriers.

24 ncerted migrations of multiple ions with low energy barriers.

25 by the copper-oxyl intermediate are the main energy barriers.

26 d to landscape basins separated by potential energy barriers.

27 discrete states and are only affected by the energy barriers.

28 table 1,4-diazabutatrienes by surpassing low energy barriers.

29 inosilicate minerals with high electrostatic energy barriers.

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

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

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

33 degrees C, 10 bar), and with a low reaction-energy barrier (47.3 kJ mol(-1) ).

34 s of the bundling process by considering the energy barrier a filament has to overcome for joining a

35 Consistent with this lower energy barrier, A(1)R-G279S(7.44) was more effective in

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

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

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

39 s Syt1-independent mechanisms that lower the energy barrier and act additively with Syt1-dependent me

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

41 underlying vesicle membrane to overcome the energy barrier and complete exocytosis(7).

42 with C4aOOH-FAD the fastest with the lowest energy barrier and have shown for the first time that a

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

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

45 rystal phases that interconvert without free-energy barriers and could provide approaches to controll

46 standing of individual effects on activation energy barriers and equilibrium constants, and DFT-deriv

47 olar transition state, leading to lower free energy barriers and higher dipole moments.

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

49 ay a coexistence of multiple phases with low energy barriers and polarization anisotropy which result

50 During unbinding, biotin crosses multiple energy barriers and visits various intermediate states f

51 of the FliI(6)-FliJ complex is to lower the energy barrier, and therefore assist in unfolding of the

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 The reaction free energies and free energy barriers are found to be significantly influenced

56 The calculated Gibbs energy barriers are in very good agreement with experime

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

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

59 a2m) as a model, we measure the kinetics and energy barrier associated with an initial amyloidogenic

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

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

62 and that these biases arise due to competing energy barriers associated with DNA deformations.

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

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

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

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

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

68 onductors highlights its promise to overcome energy barriers at the hard-soft materials interface to

69 amorphous precursors and the existence of an energy barrier before nuclei formation.

70 actually formed requires a reaction with an energy barrier below 43 kcal/mol.

71 st the switching by effectively lowering the energy barrier between local minima via stabilizing the

72 ergy minimum at the closed state and a broad energy barrier between open and closed states and how ch

73 There was no repulsive energy barrier between particles and collectors, and the

74 We find that the free energy barrier between the CIP and SIP minima increases

75 (0.08) FA(0.92) PbI(3) ) and also reduce the energy barrier between the perovskite and hole transport

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

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

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

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

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

81 likely resulting from varying height of the energy barriers between the fluorescent planar and the d

82 nism shows the potential to overcome the ORR energy barrier bottleneck to develop highly active catal

83 e armchair direction encounters an increased energy barrier, but that of Na is significantly larger a

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

85 The nucleus reduces the thermodynamic energy barrier by acting as a template for further self-

86 r configuration of CO(2) and reduce the high energy barrier by stabilizing the reaction intermediates

87 The higher energy barrier calculated for the unsubstituted oxiranyl

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

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

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

91 We assess energy barrier changes by fitting release kinetics in re

92 e free energy of the stalk, whereas the free-energy barrier changes only slightly.

93 s a predicted (16)O/(18)O isotope effect and energy barrier close to observed values.

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

95 ion was identified as the key to the lowered energy barriers compared to other reaction pathways.

96 The large free-energy barriers connected to proton dissociation, howeve

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

98 The frequency of thermally activated energy barrier crossings is assumed to generally decreas

99 nal theory calculations reveal a significant energy barrier decrease in the formate intermediate form

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

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

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

103 d on rate k(on), as well as the related free-energy barrier DeltaG and the dissociation constant K(D)

104 lled by the thermal activation over a single energy barrier DeltaG ~ 18 kcal/mol, whereas the early-t

105 A geometrical potential energy barrier develops during the budding that must be

106 no-Cu particles results in higher activation energy barriers during the conversion of DMF to N(CH(3))

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

108 potentiate synaptic strength, and lower the energy barrier equally well in the presence and absence

109 nts inside the porin with an estimate of the energy barrier experienced by the molecules caused by th

110 maximizes energy and overcomes a mechanical "energy barrier" followed by a relaxation state that reac

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

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

113 ne isomerization by cyclophilin A lowers the energy barrier for alpha-synuclein misfolding, while iso

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

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

116 ge carrier mobility as a result of a reduced energy barrier for carrier hopping compared with the pur

117 ic stability was reduced, indicating a lower energy barrier for conformational transitions in A(1)R-G

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

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

120 We found that the energy barrier for diffusion is larger when diffusion on

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

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

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

124 annealing to form because a high-activation energy barrier for interdiffusion must be overcome for t

125 f the subunit cavity, thereby decreasing the energy barrier for lipid movement.

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

127 ropy makes a significant contribution to the energy barrier for moderately elongated particles.

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

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

130 oxygen of Li-rich material via enhancing the energy barrier for oxygen release reaction, verified by

131 free energy calculations, revealing a higher energy barrier for partitioning into negatively charged

132 hain into a closed conformation to lower the energy barrier for penetration through the hydrophilic h

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

134 potential at the active site and reduces the energy barrier for phosphorolysis by 10 kcal.mol(-1).

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

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

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

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

139 Previously, we showed that modulation of the energy barrier for synaptic vesicle fusion boosts releas

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

141 explored in detail, revealing that the lower energy barrier for the formation of alpha-lapachone is a

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

143 e heterosurface and consequently reduces the energy barrier for the HER.

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

145 ignificance, we are able to compare the free energy barrier for the reaction with that for the Mg(2+)

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

147 on magnetic behavior even above 10 K with an energy barrier for the reversal of the magnetization of

148 The energy barrier for this reaction is substantially lowere

149 er interface leads to a lowering of the free-energy barrier for unfolding, resulting in rapid unfoldi

150 Calculated free energy barriers for 1 reasonably agree with experimental

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

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

153 s a challenging reaction because of the high energy barriers for CO(2) activation and C-C coupling, w

154 ion is due to an abrupt decrease in the free-energy barriers for lateral mobility of outer-sphericall

155 Our calculations show that energy barriers for n-butanol oxidation increase in the

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

157 Significant large energy barriers for rearrangement to the closely related

158 olecular-level mechanisms that contribute to energy barriers for solute transport through subnanometr

159 alpha, were found to be responsible for high energy barriers for the anions to enter EcYfdC.

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

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

162 The calculated energy barriers for this mechanism for Au(38) and Pd-dop

163 ly this intramolecular attraction raises the energy barrier from 42 kJ/mol for unsubstituted DBCOD to

164 sic rectification caused by an electrostatic energy barrier from positively charged amino acids at th

165 ntermediate, separated by a significant free energy barrier from the dimer with a native binding inte

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

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

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

169 Schottky contact to p-type one with reduced energy barrier height.

170 Free-energy barrier heights calculated for critical steps in

171 r emitter films with varying thicknesses and energy barrier heights relative to the contact.

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

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

174 Fortunately, a sizable energy barrier impedes the conversion from native to pat

175 This model shows that the significant energy barrier imposed by the formation of junctions can

176 peptide chain of MJ0366 increase the folding energy barrier in a magnitude close to the energy cost o

177 th and shortening requires a high activation energy barrier in lateral tubulin-tubulin interactions.

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

179 s for H(2)Se oxidation were identified, with energy barriers in the presence of AuNCs significantly l

180 300 K and 1 atm of CH(4) shows no effective energy barriers in the system.

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

182 However, for 2ME the energy barriers increase in the order alpha < beta < xi

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

184 Residual energy barriers introduced by disordered regions are byp

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

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

187 eory of phase transition, the resulting free energy barrier is found to decrease linearly with the te

188 key term responsible for reducing the Gibbs energy barrier is the interaction.

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

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

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

192 cal stability up to 5 V and a low activation energy barrier (<0.2 eV) for microscopic lithium-ion dif

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

194 and injection limited due to an interfacial energy barrier much larger than that for bulk transport

195 cally competent reactions with lower initial energy barriers must be devised to control the reaction

196 not require ATP consumption as only a small energy barrier needs to be overcome.

197 A small energy barrier of 0.18 eV is predicted for CH(4) dissoci

198 dipole states are separated by a transition energy barrier of 11 meV.

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

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

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

202 -electron transfer mechanism that has a free-energy barrier of 6.65 kcal.mol(-1).

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

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

205 The energy barrier of epimerization was measured, suggesting

206 ions reveal that carbon dopant decreases the energy barrier of Heyrovsky step from 1.17 eV to 0.81 eV

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

208 s into the OM is how to overcome the initial energy barrier of membrane insertion.

209 The energy barrier of P-isomerization is lower than that of

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

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

212 ERCA2a protomers in a dimer that reduces the energy barrier of rate-limiting steps of the catalytic c

213 n how the hydrazide catalyst lowers the free-energy barrier of the Cope rearrangement via an associat

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

215 that this structure defines the highest free-energy barrier of the overall catalytic cycle and hence

216 anostructured catalytic surfaces and cut the energy barrier of the overall reaction.

217 Our calculations show that the energy barrier of the phase transition is responsible fo

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

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

220 y stable at room temperature with a trapping energy barrier of ~2 eV.

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

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

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

224 e, as well as intrinsically lower activation energy barriers of breaking the methane C-H bond over Mo

225 precursors simultaneously, thus lowering the energy barriers of CO(2) electroreduction.

226 ductor, highlighting their power to overcome energy barriers of electron injection and extraction pro

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

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

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

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

231 They are consistent with the calculated energy barriers of the corresponding transition states.

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

233 like counterparts (which exhibited very high energy barriers of unfolding and refolding).

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

235 eratures that are consistent with activation energy barriers of ~10 +/- 3 kcal/mol.

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

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

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

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

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

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

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

243 ive lithium intercalation mechanism with low energy barriers revealed via ab initio calculations.

244 mbined results suggest that relatively small energy barriers separate orientation states and that sig

245 represent the parts of a reaction where the energy barrier separating products and reactants is cros

246 Protein (un)folding rates depend on the free-energy barrier separating the native and unfolded states

247 well-defined crystalline symmetry and large energy barriers separating different states in crystals.

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

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

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

251 ctive of differences in the character of the energy barriers, such as the width of the barrier saddle

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

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

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

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

256 metastable conformations separated by a free energy barrier that is lowered upon omission of four spe

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

258 educed the dimer population or decreased the energy barrier that separates the monomer from the aggre

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

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

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

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

263 It can lower the CO(2) activation energy barrier through stabilizing the COOH* intermediat

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

265 e chalcogen atoms but restricted by the high energy barrier to break the in-plane TM-X (X = chalcogen

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

267 Nevertheless, a high energy barrier to colloidal rearrangement kinetically ar

268 ed state of the overhangs and magnifying the energy barrier to dissociation.

269 dependent shifts in the location of the free-energy barrier to folding.

270 ssue rigidity and help cells to overcome the energy barrier to intercalation.

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

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

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

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

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

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

277 The low free energy barrier to partial dehydration in the absence of

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

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

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

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

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

283 ion (color), fluorescence quantum yield, and energy barriers to ground- and excited-state isomerizati

284 nuniform interface presenting different free energy barriers to heterogeneous nucleation underlies ou

285 g the measurement of relative spin-dependent energy barriers to transmission through chiral organic f

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

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

288 The effective energy barrier (U(eff) ) for the loss of magnetization c

289 in sluggish kinetics due to the increase in energy barriers upon interfacial ion transfer.

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

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

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

293 ll of the elementary reaction steps have low energy barriers, whereas reactions of LiBH(4) /NaBH(4) w

294 -functional simulation reveals that the free energy barrier, which can be compensated by applied over

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

296 mistries intrinsically exhibit low migration energy barriers, wide electrochemical windows, and are n

297 rently interconvert over an ~1-electron volt energy barrier with a 140-milli-electron volt shift in t

298 ced Li ion conduction and lowered activation energy barrier with increasing site disorder reveals an

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

300 sites results in high positive electrostatic energy barriers within the interlayer, creating a penalt