ライフサイエンスコーパス: delocalization

1 nt in detection limits and decreased analyte delocalization.

2 conceptually described by 1-dimensional (1D) delocalization.

3 cal aromatic units, peripheral, and all-bond delocalization.

4 ultiporphyrin arrays that feature vast areal delocalization.

5 ing with bond lengths indicating significant delocalization.

6 irection demonstrates significant electronic delocalization.

7 how no change in the extent of triplet state delocalization.

8 roscopy demonstrates extensive excited-state delocalization.

9 ion potentials, and pi* orbital energies and delocalization.

10 eneration efficiency, independent of exciton delocalization.

11 d isomerase (KSI) facilitates quantum proton delocalization.

12 ed by the bridging urazoyl ring and benzylic delocalization.

13 mixed domains, domain geometry, and exciton delocalization.

14 al Raman fingerprint of through-space charge delocalization.

15 <1 ps) dissociation by incorporating exciton delocalization.

16 tless, and thus are devoid of sample product delocalization.

17 ridging ligands allowing a strong electronic delocalization.

18 s distinct in having its origins in electron delocalization.

19 molecular architectures and to increase spin delocalization.

20 may be an underestimation because of charge delocalization.

21 H(2)O)(0-2) can be rationalized by resonance delocalization.

22 groups and of the bridging (hetero)arene on delocalization.

23 iencing or not the nN --> sigma*N-H electron delocalization.

24 g on whether they enhance or weaken aromatic delocalization.

25 rexpression of CIZ1 likewise results in Xist delocalization.

26 ue iron environment and thus strong electron delocalization.

27 binding of the CT state arising from charge delocalization.

28 resonance structures that contribute to spin-delocalization.

29 o be aromatic systems with varying degree of delocalization.

30 of the CH ortho to B leads to smaller cyclic delocalization.

31 NHE is in part attributed to complete charge delocalization across both Ir centers.

32 MO-LUMO gap was observed due to efficient pi-delocalization across the phosphaviologen core, as well

33 CBM blend in terms of morphology and exciton delocalization allow excellent charge generation in all

34 s can be strongly suppressed by wavefunction delocalization, allowing for the dissociation of (3)CT s

35 This result can be explained by a charge delocalization along a well-stacked domain in the strand

36 r backbone, potentially enhancing electronic delocalization along the main-chain.

37 nd better planarity, which improves electron delocalization along the polymer backbone and charge mob

38 mena associated with an extended pi-electron delocalization along the polymer backbone.

39 havior, whereby 1 displays strong electronic delocalization and 2 can be observed in unprecedented va

40 modes provide an accurate description of pi-delocalization and an accurate AI.

41 linked COFs display only a moderate electron delocalization and are susceptible to hydrolysis, partic

42 ions are stabilized by extensive pi-electron delocalization and by investigating analogs of metformin

43 s a remarkable phenomenon where wavefunction delocalization and Coulomb gap collapse are disrupted by

44 d-retinal barrier (BRB) permeability through delocalization and down-regulation of the AQP4 and Kir4.

45 tween HCOO(-) and H2SO4 through the electron delocalization and formation of two strong hydrogen bond

46 Charge delocalization and greater flexibility of Me15 may incre

47 ociation by comparing the effects of exciton delocalization and impure domains on the photo-dynamics.

48 such as degree of 5 f-electron localization/delocalization and its relationship to magneto-vibration

49 iginate from differing conditions of exciton delocalization and localization realized in the mutant.

50 polymer film, leading to large wavefunction delocalization and low site energies.

51 cued RGP death and microcephaly, but not RGP delocalization and randomized mitotic spindle orientatio

52 g explicit treatment of excess proton charge delocalization and shuttling through the His37 tetrad.

53 find a synergistic relationship between spin delocalization and spin polarization mechanisms and that

54 importance of state accessibility and charge delocalization and suggest that energetic offsets betwee

55 rties of the aggregate, modulating the redox delocalization and the persistence of the intracore coup

56 Glucose starvation induces the transient delocalization and then partial relocalization of clathr

57 ic shift to the near-IR region, greater spin delocalization, and anodic shift of the reduction potent

58 xes with dithiolene ligands without extended delocalization are Class II mixed-valent compounds in th

59 The patterns of global pi-electron delocalization are described in graph theory terminology

60 rs from a well-known over-emphasis on charge delocalization arising from self-interaction error that

61 e induced magnetic field shows a significant delocalization around the three-membered rings.

62 f the interaction, and three-center electron delocalization as in ozone.

63 ligand polarizability, a measure of electron delocalization, as a candidate descriptor of inhibitor p

64 rtial transduction can still ameliorate nNOS delocalization-associated functional deficiency.

65 ed R735X-infected mice displayed connexin 43 delocalization at intercardiomyocyte gap junctions, a ch

66 ions being dominated by n --> sigma* orbital delocalization between a lone pair (n) of a (thio)amide

67 the anionic N-oxides confirmed the extensive delocalization between the aromatic ring and the side ch

68 size owing to enhanced intraparticle charge delocalization between the particle-bound ferrocenyl moi

69 harge that impacted the intraparticle charge delocalization between the particle-bound pyrene moietie

70 bon matrix induces contact between different delocalization bodies (DB), which results in proton exch

71 occurs via proton exchange processes between delocalization bodies (DBs) that are facilitated by the

72 ions that increase cyclic 4n + 2 pi-electron delocalization boost aromaticity.

73 Charge delocalization by both the first and second solvation sh

74 The model incorporates the effects of pi delocalization, cage strain, and steric hindrance.

75 e data, calculations show that electron-hole delocalization can actually oppose Co(IV) formation.

76 hemical systems in which switching of charge delocalization can be explored.

77 rate estimate of the extent of triplet state delocalization can be obtained from the hyperfine coupli

78 te that the redox series exhibits electronic delocalization (class II-III), yet no intervalence charg

79 We present evidence that exciton delocalization, coincident with an increased relative ad

80 This delocalization comes from the large energy gap between t

81 tron-hole dissociation intermediated by hole delocalization (conformationally assisted and thermally

82 This excited-state delocalization contrasts with previously reported cages.

83 uronal nitric oxide synthase (nNOS) membrane delocalization contributes to the pathogenesis of Duchen

84 varying site dependence of the localization-delocalization correlation effects of their 5f electrons

85 4S, F261Y, and A269T, increases the electron delocalization, decreases the bond length alternation, a

86 e alternative mechanism of n --> pi* orbital delocalization does not seem to play a significant role

87 This delocalization dramatically stabilizes the deprotonation

88 t compound remained in situ with minor or no delocalization during the buffered washing procedure.

89 e the importance of often-overlooked orbital delocalization effects in conformational control and mol

90 pplications are presented for representative delocalization effects in saturated and unsaturated spec

91 ntitative descriptor for a broad spectrum of delocalization effects ranging from strong pi aromaticit

92 sodium terephthalate which improves electron delocalization, electrical conductivity and sodium uptak

93 orbital is demonstrated by NBO second-order delocalization energies, Fock matrix deletions, and natu

94 hydrogen bonding and hyperconjugative charge delocalization explains the sensitivity of the IR spectr

95 0's and the importance of inter-chain charge delocalization for the stability of the CT states.

96 elated attributes of f-orbital occupancy and delocalization for which a quantitative measure is lacki

97 m hTR in mitotic cells coincident with TCAB1 delocalization from Cajal bodies.

98 nation of large magnetic anisotropy and spin-delocalization from metal to ligand which induces import

99 etwork density accompanied by Arp2/3 complex delocalization from the leading edge and increased rates

100 th a model in which n --> pi*(Ar) electronic delocalization [from carbonyl (O(i-1)) to the antibondin

101 ng on a variety of cluster properties (redox delocalization, ground-state stabilization, and breadth

102 Intermolecular charge delocalization has recently been proposed by this labora

103 rstood in terms of pressure-induced electron delocalization; however, the governing mechanisms are co

104 f through-bond and through space pi-electron delocalization (i.e., pi-conjugations).

105 rgy, but transfer by a non-activated quantum delocalization, if the NP energies are closer than the o

106 The AI turns out to describe pi-delocalization in a balanced way by correctly describing

107 t quantitatively determines the degree of pi-delocalization in a cyclic conjugated system.

108 nctional theory calculations, showing uneven delocalization in a porphyrin dimer in which a terminal

109 adicals, again due to more efficient radical delocalization in allyl radicals.

110 e first evidence for extensive triplet state delocalization in an artificial supramolecular assembly

111 The significance of vacancy delocalization in decreasing the vacancy segregation ene

112 ize the competition between localization and delocalization in ensuring efficient charge separation.

113 ence of electronic symmetry on triplet state delocalization in linear zinc porphyrin oligomers is exp

114 ast, at the 2D semiconductor heterojunction, delocalization in momentum space due to strong exciton b

115 lecular donor/acceptor interface, electronic delocalization in real space can dictate charge carrier

116 Electronic delocalization in redox-active polymers may be disrupted

117 f enhanced hyperconjugative (resonance-type) delocalization in Si-O vs C-O bonding is essentially pre

118 is suggested that the extent of sigmaiso(r) delocalization in sigmaiso(r) contour plots in planes 1

119 work, giving rise to extended quantum proton delocalization in the active site.

120 The extent of isotropic shielding delocalization in the contour plots in planes 1 A above

121 ectroscopies at variable temperatures, while delocalization in the ground state was confirmed by DFT

122 The degree of ground-state charge delocalization in the mixed-valent state has been quanti

123 form a pyridinium cation induces electronic delocalization in the PLP, which correlates with the enh

124 d information regarding the extent of charge delocalization in the two isomeric forms.

125 idges, are consistent with enhanced electron delocalization in the unsaturated backbone.

126 n der Waals interaction promoting electronic delocalization in these species.

127 The origin of valence delocalization in thioredoxin-like ferredoxin Cys-to-Ser

128 ry operations-namely, through-space electron delocalization in triangular macrocyclic molecules that

129 both "intermolecular" excitation and charge delocalizations in [2.2]paracyclophane molecules is show

130 ies typical of metallic bonding and a larger delocalization index (bond order) for the less polar U-N

131 (bond critical point electron densities and delocalization indices) and the average Ac-He distances,

132 tropositive alkyl substituents and by charge delocalization into additional rings.

133 84 kcal/mol), consistent with iminyl radical delocalization into the aryl substituent in 2 as compare

134 nganese-only spin) we find evidence for spin delocalization into the O 2p orbitals.

135 ntification of a significant charge and spin delocalization involving both the phenyl ring and the su

136 an also stabilize a benzylic radical by spin delocalization involving silver.

137 As a consequence, this delocalization is accompanied by a decrease in H3K27me3

138 This initial delocalization is consistent with the fundamental uncert

139 au deloc < 400 as, whereas interlayer charge delocalization is dynamically quenched in excess of a fa

140 The extent of triplet state delocalization is investigated in rigid linear zinc porp

141 r deprotonation, an increase in the electron delocalization is observed.

142 fs time scales and posit that excited state delocalization is responsible for the ultrafast charge t

143 The consequence of this delocalization is that the isocyanate is expected to rem

144 ximately 300 K) and a high degree of valence delocalization (Kc = 10(2)-10(8)) with observable IVCT b

145 rrects it in those cases where peripheral pi-delocalization leads to higher stability.

146 irect measure of the (6,5) SWNT hole polaron delocalization length (2.75 nm); (iii) determine steady-

147 rameter D can lead to underestimation of the delocalization length, unless combined with quantum chem

148 nique class of isoenergetic wires where hole delocalization mainly occurs via dynamic hopping and thu

149 y due to a spin polarization effect, while a delocalization mechanism from the 3d orbitals of the tra

150 pe biradical intermediate is stabilized by a delocalization mechanism, where spin is delocalized onto

151 ps all stabilize benzylic radicals by a spin delocalization mechanism.

152 ld demonstrate that they arise from n-sigma* delocalization, not from an inductive effect.

153 The different extents of sigmaiso(r) delocalization observed in the horizontal contour plots

154 if any, energetic stabilization from global delocalization, obviating the need for the concept of su

155 Local and global pi-electron delocalization occurring in planar poly-1,7-[N]calicenes

156 ty within the Mn-oxo unit, with the greatest delocalization occurring within the Mn(V)-oxo species (0

157 experimental and computational evidence for delocalization of 5f electrons in the mixed-valent Pu(II

158 nalysis and computational studies revealed a delocalization of 6pi-electrons over the BC2N2 five-memb

159 oups have quite a different effect on the pi-delocalization of a conjugate system when bonded at orth

160 on that the two-bond reaction was due to the delocalization of added charge between adjacent halogen-

161 ity in sampling area, spatial precision, and delocalization of analytes in tissue induced by LESA wer

162 ) DCF, generated by Na metal reduction, show delocalization of both the charge and unpaired electron

163 character is markedly enhanced by efficient delocalization of cationic charge density into the five-

164 The delocalization of cationic charges in the biguanide grou

165 ange order (MRO) mediated by the 4f electron delocalization of Ce under pressure.

166 at the charge on the copper-bound carbon and delocalization of charge onto the aryl ring control the

167 in-4, the paracellular chloride channel, and delocalization of claudin-4 from the tight junction.

168 ese peak red shifts are a consequence of the delocalization of confined exciton wave functions into t

169 agation by inducing phase transformation and delocalization of deformation around the crack tip.

170 d [Mn@Pb12](3-) and is a result of extensive delocalization of electron density from the transition-m

171 In almost every case, a high degree of delocalization of electron was noted.

172 s and spectroscopic measurements confirm the delocalization of electronic density around the carbonyl

173 h the interplay between spin, energetics and delocalization of electronic excitations in organic semi

174 al bonds, leading to the reduced overlap and delocalization of electronic orbitals.

175 Localization and delocalization of electrons is a key concept in chemistr

176 Delocalization of electrons over longer length scales, l

177 Spectroscopic data indicate considerable delocalization of excitations along the pi-stacked colum

178 excited-state populations, and localization/delocalization of excitations.

179 The aug7-1 mutation caused delocalization of gamma-tubulin in the mitotic spindle a

180 distribute diffusely results in the striking delocalization of KaiC.

181 translocate to the nucleus, possibly due to delocalization of nuclear pore complexes (NPCs) at the n

182 Moreover, the delocalization of odd electrons in these radicals has be

183 is required for asymmetric development, the delocalization of one of these two components does not p

184 howed that integration of the peptide caused delocalization of peripheral membrane proteins essential

185 duction in binding affinity results from the delocalization of PI(4,5)P2 in the binding pocket.

186 9)Si NMR analysis of this complex pointed to delocalization of positive charge onto both the beta-sil

187 ve multiple degrees of electron localization/delocalization of Pu 5f electrons within a pure single-e

188 olerate both partial depletion of RanGAP and delocalization of RanGAP from the nuclear envelope.

189 oss of this interaction results in premature delocalization of Rga1 from the immediately preceding di

190 f Cdc42 polarization predicts that premature delocalization of Rga1 leads to more frequent Cdc42 repo

191 r and a new bud site is established prior to delocalization of Rga1.

192 tive Src at cell-cell contacts, resulting in delocalization of ROCK2 from cell-cell contacts and decr

193 We also demonstrate mesoscopic delocalization of single atoms with a separation-to-loca

194 tection by the chlorinated carborane and the delocalization of spin density throughout the exo-cluste

195 strate that ultimate lateral confinement and delocalization of surface plasmon modes are simultaneous

196 in 1 homolog Rik1, and the DCAF-like protein delocalization of Swi6 1 (Dos1).

197 The higher delocalization of the charge in the TS as compared to th

198 hese are investigated as a function of T, pi delocalization of the electron density within R, and the

199 with the attachment of ligands that allow pi delocalization of the electron density.

200 h in the MLCT states are consistent with the delocalization of the electron over both ThCCH ligands.

201 Stokes shift as a direct consequence of the delocalization of the electron wavefunction over the ent

202 stabilized in a deep minimum reflecting the delocalization of the excess charge among the histidines

203 ssociated with the PT as well as the dynamic delocalization of the excess proton electronic charge de

204 Evidence for delocalization of the excitation over multiple chromopho

205 r finding provides a mechanism for effective delocalization of the excitations on the picosecond time

206 directly reports on changes in the degree of delocalization of the excitonic states following photoex

207 intermediate is proposed to be due to charge delocalization of the first cation to the single amino g

208 DFT calculations predict that the delocalization of the frontier molecular orbitals should

209 result is supported by the finding of strong delocalization of the highest occupied molecular orbital

210 ase, the charge propagation occurs through a delocalization of the hole density along the base pair s

211 d hopping, our simulations show the complete delocalization of the hole density along the entire hair

212 embedded retinylidene chromophore that favor delocalization of the iminium charge lead to exquisite c

213 -13.7 ppm, respectively, resulting from the delocalization of the lone pair at the nucleophilic cent

214 avier homologues are, in part, stabilized by delocalization of the N lone pairs into the vacant p-orb

215 This repression was accompanied by delocalization of the phosphate transporter from the pla

216 P-Ge multiple bond character that is due to delocalization of the phosphorus lone pair into the vaca

217 The delocalization of the photoexcited triplet state in a li

218 e antiaromatic stacking furthermore allows a delocalization of the pi-electrons, which enhances the t

219 of chromophores and affected the conjugative delocalization of the pi-electrons, which produced short

220 These potential shifts suggest that the delocalization of the positive charge on the side arm ov

221 ca. 100 mV, and the arrays show evidence for delocalization of the radical cation over both porphyrin

222 tron pair repulsion resulting from increased delocalization of the radical electron.

223 R spectroscopy and DFT calculations verified delocalization of the radical over the extended pi-syste

224 ion of proteins to proceed with undetectable delocalization of the resulting products from their prec

225 and ENDOR spectroscopy to reveal substantial delocalization of the spin density over the helicene bac

226 These data unequivocally prove the delocalization of the triplet state over both porphyrin

227 The spatial delocalization of the triplet state wave function in sys

228 A theoretical quantum model confirms the delocalization of the wavefunctions of the hybridized st

229 Delocalization of these proteins presumably is a key rea

230 contributes to the narrowing of band gap and delocalization of trapped electrons.

231 Delocalization of Ulp1 causes DNA damage and cell cycle

232 or the terminal adduct featuring substantial delocalization of unpaired spin onto the N2 ligand.

233 CdtB also induced an atypical delocalization of vinculin from focal adhesions to the p

234 bonding interactions and, because of 6psigma delocalization, of Pt-P bonds in the course of the two r

235 Here we investigate the effects of anion delocalization on electron transfer using zinc meso-tetr

236 orates the enhancing effect of excited state delocalization on individual rates of energy transfer as

237 with significant spin density on Ni and some delocalization on S and Fe.

238 From the perspective of quantum localization-delocalization on the lattice of quantum numbers, we are

239 llinity, interchain interaction, and exciton delocalization on ultrafast charge separation pathways i

240 Analysis of EPR spectra indicates some spin delocalization onto the secondary aromatic ring and nitr

241 roscopy (XAS) assesses the degree of radical delocalization onto the single sulfur atom of nonsymmetr

242 ppeared to stabilize oxidized states through delocalization or entrapment.

243 lus induces a substantial increase of charge delocalization, or in the terminology commonly used in m

244 nine (G) runs in double-stranded DNA support delocalization over 4-5 guanine bases.

245 e, we examine the prospect of extending spin-delocalization over a helical backbone in a model compou

246 le stabilization switches over from (static) delocalization over both aryl rings to (dynamic) hopping

247 single metal center, as compared with charge delocalization over both metal centers for para-Fe2.

248 tapes) exhibit extended conjugation and even delocalization over more than two porphyrin macrocycles,

249 t to the monomeric unit, indicating complete delocalization over six porphyrin units in this symmetri

250 he planarization, i.e., elongation of the pi-delocalization over the benzo[a,c]phenazines moiety.

251 rely empty, leading to an extensive electron delocalization over the cube and significant stabilizati

252 e complex was synthesized, in which electron delocalization over the nanographene and the metal ion s

253 ene (B2) gives rise to anions with extensive delocalization over the pyrenylene bridge and between th

254 Electron delocalization over two Cu centers in CuA was found to m

255 he question of core-hole localization versus delocalization over two equivalent atoms has long been d

256 nit, whereas previous work demonstrated even delocalization over two units in meso-to-meso ethyne or

257 ristics by virtue of a 17-atom 18pi electron delocalization pathway.

258 all of the porphyrinoids with 18-pi-electron delocalization pathways are highly diatropic.

259 ance contributors that possess 18pi electron delocalization pathways.

260 he monomer-monomer electronic interactions), delocalization persists.

261 This delocalization phenomenon also was observed with the cyc

262 er (IVCT) occurs, dependent on the degree of delocalization, places these within class II or III of t

263 predispose patients to cholestasis through a delocalization process of BSEP at the lobular level.

264 the molecule a good emitter, and the charge delocalization properties leading to excimer formation m

265 sion systems occurs through hot-state charge delocalization rather than energy-gradient-driven interm

266 Recently, it has been proposed that exciton delocalization reduces the exciton binding energy and pr

267 s acidity in addition to enhanced electronic delocalization relative to benzo-fused analogues.

268 d experimentally that complete triplet state delocalization requires the chemical equivalence of all

269 ity of intra- and also intermolecular charge delocalization resulting in multisite reaction.

270 may act cooperatively with the n --> pi*(Ar) delocalization, resulting in the absence of the trans ro

271 relaxes in energy to produce CT states with delocalization sizes in the range of 1-3 nm.

272 heights are related to the magnitude of the delocalization stabilization of each fully conjugated sy

273 y is of greater importance for triplet state delocalization than other frequently invoked factors suc

274 with the graphene sheets provide further pi-delocalization that improves the catalytic performance o

275 morphous Ce-Al alloy is not due to the Ce 4f delocalization that is expected to bring the size of Ce

276 duces a novel type of electron solvation and delocalization that is fundamentally different from eith

277 Recently, another type of electron delocalization, the n-->pi* interaction between carbonyl

278 -vis, and CD spectroscopies, validating spin-delocalization through a chiral backbone, in accord with

279 iety enables protonation control of electron delocalization through the 2D COF sheets.

280 Furthermore, charge delocalization through the [2.2]paracyclophane in the ne

281 resulting in overstabilized radicals by spin delocalization through the imine into the pyridine ring

282 es of the cages, arising from the electronic delocalization through the metal centers.

283 S2 exhibits spin-dependent attosecond charge delocalization times (tau deloc) for carriers confined w

284 unequivocally support that a crossover from delocalization to hopping occurs at a unique dihedral an

285 scherichia coli, we can restrict vibrational delocalization to measure 2D IR spectra of individual mo

286 f base scaffold possessing extended electron delocalization together with a quasi-planar structure on

287 Proximity to these charge and moment delocalization transitions in LaMnPO results in a highly

288 sahedron, which might link to Yb 4f electron delocalization upon compression, and match the result of

289 wly introduced descriptor called the radical delocalization value and the intrinsic stability via a p

290 nd acidity for moieties that allow resonance delocalization versus those that do not, which is discus

291 ovian line shape theory and includes exciton delocalization, vibrational sidebands, and lifetime broa

292 ates intramolecular through-space electronic delocalization when the PDI-helicene is reduced.

293 ,4-azaborine does not change much its cyclic delocalization, while replacement of the CH ortho to B l

294 y hampered, zwitterionic states and electron delocalization with quinoidal features are promoted as a

295 series reveals the highest degree of valence delocalization with the most intense IVCT bands (Kc = 10

296 the N=P(V) double bond and its potential for delocalization within a cyclic pi-electron system.

297 The finding that charge delocalization within a single molecule can readily caus

298 e with surface area is attributed to exciton delocalization within each structure, which we show via

299 nd correspondingly high degree of excitation delocalization within the Chls a610-a611-a612 cluster da

300 This implies a rather high degree of sigma-delocalization within the hydrocarbons, not too dissimil