ライフサイエンスコーパス: polarizability

1 racteristics of biomolecules (e.g., size and polarizability).

2 physically realistic treatment of electronic polarizability.

3 licitly includes the treatment of electronic polarizability.

4 tes, and S reflects the adsorbate's polarity/polarizability.

5 use of cations (Ag(+), Na(+)) that differ in polarizability.

6 in silica gel and its control on interfacial polarizability.

7 del electric field attenuation by electronic polarizability.

8 e sensitivity of solute distributions to ion polarizability.

9 obase in terms of shape, hydrophobicity, and polarizability.

10 nality including internal surfaces with high polarizability.

11 te size effects, and lipid hydrocarbon chain polarizability.

12 aracteristics such as hydration enthalpy and polarizability.

13 a solvent environment with a high degree of polarizability.

14 ge transfer" transition and the static axial polarizability.

15 ed for by attraction due to increased ligand polarizability.

16 luble in carbon disulfide, a solvent of high polarizability.

17 tude of the ion's mobility change related to polarizability.

18 ransfer state of the compound as well as its polarizability.

19 es but show a larger dependence on molecular polarizability.

20 the derivatives of the dipole moment and the polarizability.

21 for example, hydrogen bonding and electronic polarizability.

22 ch include the dipole moment and interfacial polarizability.

23 ispersion linked to changes in excited-state polarizability.

24 in size, flexibility, hydropathy, charge, or polarizability.

25 was used to determine the molecular optical polarizability.

26 ch include the dipole moment and interfacial polarizability.

27 ill a challenging issue owing to their lower polarizability.

28 discrete phase change of pi in the nonlinear polarizability.

29 a gate and probes the qubit's radiofrequency polarizability.

30 pole moments in a unit cell but by molecular polarizabilities.

31 pendent indices of refraction from isotropic polarizabilities.

32 ir richness in pi-electrons, and their large polarizabilities.

33 emperature measurements show normal metallic polarizabilities.

34 d with a specific focus on extracting atomic polarizabilities.

35 d to span a range of masses, geometries, and polarizabilities.

36 in softer solids and correspondingly higher polarizabilities.

37 is their typically large and tunable (hyper)polarizabilities.

38 favorable factors: (1) Xe has a large atomic polarizability; (2) Xe can be applied at a relatively hi

39 ensities; (2) that it is dictated by radical polarizability; (3) that it is dictated by London disper

40 Previously we proposed ligand polarizability, a measure of electron delocalization, as

41 Herein we propose that the maxima of static polarizability along bond dissociation coordinates natur

42 ion, geometry, molecular dipole moment (mu), polarizability (alpha), and hyperpolariz-abilities (beta

43 the essential role of a material's magnetic polarizability, alpha(m), and electric-magnetic scatteri

44 e moment, and show that the neutron electric polarizability, although entering the neutron energy in

45 Multivariate analysis revealed that ligand polarizability, among other features, influences the obs

46 These drift gases provide a range of polarizabilities and molecular weights.

47 for accurate evaluation of dynamic multipole polarizabilities and van der Waals (vdW) coefficients of

48 der Waals) parameters to reproduce ab initio polarizabilities and water interaction energies of dimet

49 pi* + 0.47alpha, with pi* being the polarity/polarizability and alpha the hydrogen bond donor (HBD) a

50 ion is found to generally correlate with the polarizability and boiling point of the refrigerant, wit

51 used to overcome the trade-off between high polarizability and breakdown strength.

52 luorescence lifetime and solvent orientation polarizability and developed a lifetime polarity index f

53 s, and STEM) were synergistically used (with polarizability and DFT property calculations) to down se

54 trivial effects of methylation on induction, polarizability and dispersion directly from self-consist

55 e delay times increase with increasing anion polarizability and extent of cation hydration and lead t

56 ne, and pyridazine derivatives exhibit lower polarizability and extent of the ICT across these pi-lin

57 Changes in polarizability and frequency of scattering from DNA base

58 ike architecture with high anionic framework polarizability and high concentrations of mobile cations

59 the solvatochromic parameters of dipolarity/polarizability and hydrogen-bonding acidity have been es

60 It was determined that solute dipolarity/polarizability and hydrogen-bonding character play the m

61 The individual dipolarity/polarizability and hydrogen-bonding contributions to the

62 erties, such as strong solvatochromism, high polarizability and hyperpolarizabilities, and sensitizin

63 mplexes, Co(II)-ACMHCA displayed the highest polarizability and hyperpolarizability, suggesting poten

64 for the optimization of molecular electronic polarizability and hyperpolarizability.

65 Results showed that polarizability and inhibitory potency directly correlate

66 tion descriptors which reveals the fact that polarizability and lipophilicity are the main factors in

67 persion, hydrogen-bond acidity and basicity, polarizability and lone-pair electrons.

68 ctly the critical need for force fields with polarizability and multipoles, and constant pH methods.

69 here exhibit an inverse correlation with the polarizability and proton affinity of the AA.

70 Due to their polarizability and rapid tautomerization, pyridones exhi

71 because it possesses the best combination of polarizability and steric suitability.

72 alysis, the two-parameter QSRR equation with polarizability and subpolarity as parameters was found t

73 etention was best reproduced by using solute polarizability and subpolarity as the parameters calcula

74 rption on functionalization and suggest that polarizability and symmetry of the functionalization on

75 he greatest cross-sectional surface area and polarizability and that this selective mechanism increas

76 culate free energies arising from electronic polarizability and the LRA is constructed from molecular

77 sticated treatment of water molecule and ion polarizability and vibrational coupling is necessary for

78 re dependent on the size of the alkyl group (polarizability) and the degree of fluorination (field ef

79 ads to a good description of dipole moments, polarizabilities, and accurate excitation energies from

80 Their capacitance, linear polarizabilities, and dielectric constants are computed

81 are made with the respective reduced masses, polarizabilities, and mobilities of ions in mixtures whe

82 hat uses only nine descriptors of the shape, polarizability, and charge of the molecule is described.

83 ise from periodic trends (i.e., atomic size, polarizability, and electronegativity) that differ from

84 rmational free energies on solvent polarity, polarizability, and H-bonding characteristics showed tha

85 suitable counterion: very low basicity, low polarizability, and high chemical stability.

86 polarization saturation, enhance high-field polarizability, and improve breakdown strength.

87 etic's hydrophobicity, permanent dipole, and polarizability, and is accepted to occur in lipid-like,

88 d its fundamental components, dipole moment, polarizability, and orbital energies, can help shed ligh

89 actors such as inductive, steric, resonance, polarizability, and pi-donor effects, although these fac

90 , e.g. ionization energy, dipole moment, and polarizability, and the ligand's ability to stabilize ei

91 Considering the polarizability anisotropy of about 150,000 proteins, our

92 have a large dipole moment and a high linear polarizability anisotropy.

93 realized (imaginary part of the third-order polarizability approximately 2.6 x 10(5) x 10(-36) esu)

94 dence, phase behavior, and effects of atomic polarizability are considered, as well as methods and go

95 on of solutes was best predicted with solute polarizability as the parameter, computed from the AM1-(

96 degree of spin delocalization or the radical polarizability as well as computed estimates for the att

97 of the proton's electromagnetic generalized polarizabilities at low four-momentum transfer squared.

98 blies and for measuring changes of molecular polarizability at optical frequencies.

99 rption peak is observed along only one major polarizability axis in the monoclinic a-c plane.

100 Hence, we conclude that the differences in polarizabilities between M- and S-SWNTs have a negligibl

101 dsorption may be attributed to variations in polarizability between nanotube types, which create diff

102 spectra revealed significant changes in the polarizability between the ground and excited state with

103 force on cells depends on the difference of polarizability between the latter and the surrounding me

104 chains have near-identical size, shape, and polarizabilities but differ in their charges.

105 re primarily due to differences in drift gas polarizability but were also influenced by the mass of t

106 vents with higher solvophobicities and lower polarizabilities, but strikingly, were always less favou

107 HOH), hydrophobicity (SlogP), molecular size/polarizability (calculated molar refractivity), and the

108 actor of the cantilever and the local sample polarizability can be mathematically correlated, enablin

109 This high apparent polarizability can be rationalized in the case of Glu-66

110 e absent in structures with Lys-66; the high polarizability cannot be reconciled with the hydrophobic

111 e effects probably are due to enhanced local polarizability caused by Br, but any stacking interactio

112 we find that although hydrocarbon electronic polarizability causes dramatic changes in ion solvation

113 addition, we show a correlation between the polarizability change and barrier height for the hydroge

114 We quantify the molecular polarizability change upon all-trans to 13-cis isomeriza

115 The polarizability change, Tr(Deltaalpha), between the groun

116 ion instead stems from the interplay between polarizability changes and transition-dipole-driven resp

117 al barrier) and molecular properties ((hyper)polarizability, chemical shift) to substitution is analy

118 By exploiting the electric and magnetic polarizability components of the campanile tip along wit

119 ion when utilizing a drift gas with a higher polarizability constant.

120 Increasing both the field and the polarizability constants of the alkyl groups increases t

121 hat specific properties of individual cells (polarizability; contractility) influence the emerging co

122 unded in the electric dipole-magnetic dipole polarizability contribution to optical activity in which

123 The solvatochromic "polarizability correction factor" has been determined to

124 istic physical properties, including charge, polarizability, deformability, surface charge mobility,

125 The change in polarizability (Deltaalpha) for the Q(y) transition of t

126 The molecular dipole polarizability describes the tendency of a molecule to c

127 rized by very large values of the dipolarity/polarizability descriptor S and the hydrogen bond basici

128 Our dynamic polarizabilities (dipole, quadrupole, octupole, etc.) ar

129 most nanoscale objects of interest have low polarizabilities due to their small size and low refract

130 he field (sigma F), resonance (sigma R), and polarizability effect (sigma alpha) substituent constant

131 tabilize the transition states via field and polarizability effects.

132 lized by means of an interplay of steric and polarizability effects.

133 Due to thermal motion and molecular polarizability, electrical interactions in biological sy

134 phase engineering of the effective nonlinear polarizability enables complete control over the propaga

135 cific interactions (i.e., H-bonding, dipolar/polarizability, etc.) to the overall adsorption energy.

136 Because of their extremely low polarity and polarizability, fluorous media are not only chemically v

137 robust and transferable, yielding molecular polarizabilities for a diverse set of 52 larger molecule

138 The difference dipole moments and polarizabilities for PL(OX) are similar to those obtaine

139 ters such as acidity, basicity, and polarity/polarizability from Catalan's scale.

140 eld to date have focused on contributions to polarizability from organic cations and the highly polar

141 celerated by decreasing the effective medium polarizability from the high value it has in water.

142 s enhancing the real part of the third-order polarizability (gamma) of cyanine-like molecules through

143 simulations, and atomic partitioning of the polarizabilities have been exploited.

144 rameters that measure the solvent dipolarity/polarizability, hydrogen-bond acidity (electrophilicity)

145 Our theory predicts dynamic multipole polarizabilities in excellent agreement with more expens

146 estigate the relative importance of size and polarizability in ligand binding within proteins, we hav

147 ), i.e. changing the POM's charge density or polarizability in order to get deeper understanding on t

148 erstanding on the role of electrostatics and polarizability in the PNIPAM self-assembly process.

149 n reproduce the observed energetics when the polarizability in the protein interior is represented wi

150 ombination of polar effects and halogen-atom polarizability in the transition state.

151 We examine the role of electronic polarizability in water on short (tens of femtoseconds),

152 We suggest that molecular polarizability, in addition to much studied electrostati

153 We show how the bond-bond polarizability index, as originally introduced by Coulso

154 addition, DFT computational HOMO-LUMO gaps, polarizability indices, and electron density maps were a

155 c data reveal that PAd3, benefiting from the polarizability inherent to large hydrocarbyl groups, exh

156 ontribute significantly to the high apparent polarizability inside proteins.

157 escriptors (moment of inertia, total energy, polarizability, ionization potential, dipole moment, sub

158 The solute polarizability is allowed to change with electronic tran

159 When lattice polarizability is anisotropic, the van der Waals dispers

160 ies, an accurate prediction of the molecular polarizability is considerably more difficult, as this r

161 We found that the 6HxB polarizability is larger than that of the triangle origa

162 ement with experiment is best if the protein polarizability is modeled with a low (<8) average effect

163 In the gas phase, polarizability is more important, and the highest S(N)2

164 when dielectric shielding due to electronic polarizability is neglected.

165 on atomic force microscopy (AFM), and atomic polarizability is observed for members of a series of co

166 ect on most properties, including the (hyper)polarizability, is also found to follow an exponential l

167 Using a multipole shielding polarizability-local reaction field approach, we have co

168 Examples of computed polarizability maxima over the course of bond cleavage i

169 By direct polarizability measurements, we infer a differential pol

170 culated intensities from a nonresonant, bond polarizability model optimized for sp2 carbon are also i

171 erved DEP migration and trapping, we discuss polarizability models for the two species according to t

172 The high polarizability must therefore reflect water penetration,

173 e demonstrate that such a "natural bond-bond polarizability" (NBBP) index provides a flexible and qua

174 5Y substitution causes a decrease in solvent polarizability near the chromophore ring structure.

175 ses to discretely access a range of bulk gas polarizabilities not given by pure drift gases.

176 ethods utilize differences in the dielectric polarizabilities of cells for their effectiveness, and f

177 s hypothesis by correlating the ground state polarizabilities of cyanine, phenothiazine, and arylmeth

178 om the electron density and static multipole polarizabilities of each atom or other spherical object,

179 ent-bonding boundary provided by contrasting polarizabilities of the anions.

180 ulated static-dielectric constant and atomic polarizabilities of the material has allowed for evaluat

181 ordering that correlates with the differing polarizabilities of the oxygen atoms, ease of alignment

182 orce and ROT torque depend on the respective polarizabilities of the particle and medium, which in tu

183 ere, we report the experimentally determined polarizabilities of the six-helix bundle origami (6HxB)

184 identification is a result of the different polarizabilities of the various drift gases.

185 ts are consistent with differences in atomic polarizabilities of the X-H groups.

186 is possible to predict the LR-CCSD molecular polarizabilities of these small molecules with an error

187 a -CONH- group changes the dipole moment and polarizability of a portion of the molecule and has, in

188 cited-state electrostatic dipole moments and polarizability of a solvated chromophore, using exclusiv

189 The measured polarizability of an electron-hole pair (exciton) amount

190 The enhanced polarizability of aromatic phases is the likely cause of

191 nt field, the latter reflecting the inherent polarizability of Bernal-stacked bilayer graphene(7,8).

192 n transfer (ET) systems where the electronic polarizability of both the solvent and the solute is inc

193 /TE shift ratio indicated highly anisotropic polarizability of BSA in the direction normal to the sur

194 tion with remote substituents and by greater polarizability of C-X bonds toward heavier elements.

195 trong interaction potential (due to the high polarizability of calcium), along with the low collision

196 Hence, the longitudinal polarizability of DNA may be important to consider in me

197 The electric polarizability of DNA, represented by the dielectric con

198 rap sites, which is also proportional to the polarizability of donors by IR excitation.

199 ive elements, and the variations in size and polarizability of halogens require different description

200 stringent requirements of weak basicity, low polarizability of high chemical stability, lower symmetr

201 ymmetry stabilized by the strong anisotropic polarizability of indolyl.

202 ncreases due to the relative increase in the polarizability of interior modes with quantum dot size.

203 d for the first time to directly measure the polarizability of macro- and nanosized organic solids.

204 However, little is known about the polarizability of origami species, which is responsible

205 ch as those aiming to measure the electrical polarizability of proteins by trapping them in microflui

206 se differences can be explained by the lower polarizability of serine compared with threonine, becaus

207 ic dipole moment into the SAM and change the polarizability of that section of the SAM, but do not pr

208 w that this goal is achieved through a large polarizability of the active site.

209 aims to provide evidence on how changing the polarizability of the anion sublattice in one structure

210 t Hofmeister series that correlated with the polarizability of the anions.

211 d to the very small values of the quadrupole polarizability of the central sphere.

212 bility measurements, we infer a differential polarizability of the clock levels of -0.063(30) atomic

213 selectivity of chelators, including (1) the polarizability of the coordinating atom, (2) the relativ

214 n its vicinity, indicating that the apparent polarizability of the D(127) microenvironment is a funct

215 We found that the polarizability of the Dirac fermions is amplified by exc

216 was attributed to two different factors: the polarizability of the environment in its binding pocket

217 beta-carotene was attributed entirely to the polarizability of the environment in its binding pocket.

218 nd is demonstrated to stem from the changing polarizability of the environment surrounding the protei

219 It is proposed that the large polarizability of the excited state increases the dipole

220 e protein is compact, the CCS scale with the polarizability of the gas; this is also the case for hig

221 > Br(2) >> Cl(2) approximately F(2), is the polarizability of the halogen, alpha(X(2)).

222 1,1-disubstituted alkenol and the extent of polarizability of the ligand.

223 Neither the polarizability of the liganding side chains nor the size

224 In particular, the polarizability of the material, the presence of molecula

225 the observed selectivity, the dipolarity and polarizability of the micellar phase also have a small i

226 romophore pentacene in which we engineer the polarizability of the molecular environment to scan the

227 with calculations of the dynamic electronic polarizability of the nanoparticles.

228 violating coupling strength and the electric polarizability of the neutron.

229 direction and strength depends on the chiral polarizability of the particle, they act as chirality-so

230 ith the lattice sites depends on the optical polarizability of the particles, giving tunable selectio

231 ications to the planar structure and surface polarizability of the PGC phase.

232 h were correlated with the hybridization and polarizability of the pnictogen atoms (Pn).

233 The high polarizability of the precursor allows instantaneous act

234 qually important and, along with the overall polarizability of the protein, are the major determinant

235 As the polarizability of the solvating ligands is increased thr

236 screening being proportional to the polarity/polarizability of the solvent.

237 xtensive side-chain flexibility and the high polarizability of the sulfur atom.

238 we systematically alter the anion framework polarizability of the superionic argyrodites Li6PS5X by

239 permittivity (dielectric constant), and the polarizability of the surrounding solvent or the proxima

240 uCO on Au is shown to be proportional to the polarizability of the TiO2 support fully covered with do

241 n as a result of decreased hydrophobicity or polarizability of the Trp126 and Trp265 environments.

242 perturbation by an external field, the high polarizability of this nonuniform charge system eventual

243 bine electromechanical coupling and electric polarizabilities, offering immense promise in stimuli-de

244 examination of support-mediated active site polarizability on catalytic performance.

245 derstood in terms of the effects of size and polarizability on the intermolecular potential.

246 d to historical efforts to probe the role of polarizability on the ion-neutral collisional cross sect

247 e seek to validate the role of the drift gas polarizability on the observed mobility of the ions by s

248 a), quadrupole (A), and magnetic dipole (G') polarizabilities, only the electric dipolar polarization

249 ution to the interface (i.e., their relative polarizabilities or softness; 0 <or= x <or= 12).

250 ible IPR C(120) structures, this anisotropic polarizability paradigm is quite favorable to distinguis

251 d reduction potential of the Cu complex, the polarizability parameter pai* of the solvent, and the di

252 The static axial polarizability per unit length increases rapidly with N

253 rmined that electrostatics and hydrogen bond polarizability play key roles in controlling redox-modul

254 ion and the role the dipole moment/molecular polarizability plays in these processes.

255 yzed according to the relative importance of polarizability, polar, and resonance effects.

256 se radii were then plotted against drift gas polarizability producing linear plots with r2 values gre

257 macromolecules based on their dielectric, or polarizability, properties.

258 ide acidities, is consistent with electronic polarizability providing the dominant contribution to di

259 neutral particle collision cross section and polarizability (R(2) > 0.999).

260 n constant of rho(F) = 27 +/- 4 kJ/mol and a polarizability reaction constant of rho(alpha) = 19 +/-

261 diameter (>1.2 nm) regime, where nanotube's polarizability renders semiconducting tubes more hydroph

262 The apparent polarizability reported by the pK(a) values varied signi

263 ed by piezoelectric lattice strain and ionic polarizability, respectively.

264 m descriptors for all 20 compounds, polarity/polarizability (S), H-bond acidity (A), induced dipole (

265 he root-mean-square charge radius rd and the polarizability serve as important benchmarks for underst

266 are related to molecular properties such as polarizability, shape, and orientation.

267 del (PCM) for solvation indicate that polar, polarizability, solvation, and negative hyperconjugative

268 been correlated with both the field and the polarizability substituent constants of the alkyl groups

269 e meta-layer is described by a flexural wave polarizability tensor, which captures independent higher

270 mechanical calculations of the static dipole polarizability tensors of 7,211 small organic molecules

271 de this mixing, using ab initio-derived bond polarizability tensors to calculate the contributions of

272 nducting (S-) SWNTs have extremely different polarizabilities that might be expected to significantly

273 and spin Hall devices that measure the spin polarizability that accompanies the charge polarization.

274 culate longitudinal and transverse molecular polarizabilities, the orientational order parameter and

275 e to periodicity and the lack of hydrocarbon polarizability, the calculated single-channel conductanc

276 With the exception of the (hyper)polarizability, the impact of donor-acceptor substitutio

277 ydrogen bond basicity, the solute dipolarity/polarizability, the internal pressure of water and the s

278 those with higher energy density and larger polarizability: the domain walls where the polarization

279 The DeVoe polarizability theory is used to calculate vibrational c

280 alculations primarily utilized the classical polarizability theory of DeVoe, but were supplemented by

281 t includes both multipole electrostatics and polarizability thought to be essential to accurately cha

282 adapted Kramer's rate model, allowing their polarizabilities to be determined.

283 formalism have been used to relate molecular polarizabilities to bulk dielectric response, recent wor

284 Models that confine the polarizability to the plane of the molecule (i.e., TIP4P

285 ributions of nucleobase shape, polarity, and polarizability to the stability and replication of DNA.

286 e states through changes in their dielectric polarizability under magnetic resonance.

287 Using the bond polarizability values in the literature and the conforma

288 electrical conductivity gradient where their polarizability vanishes; by measuring this position--the

289 ivation barrier (<0.5 kcal/mol), and solvent polarizability via a polarizable force field was also fo

290 different dimensionalities, topologies, and polarizabilities, we find a visible enhancement in the n

291 rating photon catalysis because of its large polarizability, well-characterized excited-state potenti

292 tion measurements indicate an increase in CT polarizability when C60 crystallite size exceeds this th

293 nic distribution, polarity, pK(a), dipole or polarizability, which can be either favorable or detrime

294 real components Re(gamma) of the third-order polarizability, which leads to nonlinear refraction in m

295 >S substitution in the S4 site reduces its polarizability, which, in turn, reduces ion binding by s

296 es but spatially varying effective nonlinear polarizability with continuously controllable phase.

297 but can be explained by the increase in the polarizability with the size of halide.

298 lpy, forces, polarization, Born charges, and polarizability within a unified model enforcing the full

299 igh-order tensors such as dipole moments and polarizabilities without any modifications.

300 (H), van der Waals volume (V), polarity (P), polarizability (Z), as well as attributes derived from l