ライフサイエンスコーパス: polarizability

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

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

3 del electric field attenuation by electronic polarizability.

4 e sensitivity of solute distributions to ion polarizability.

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

6 nality including internal surfaces with high polarizability.

7 te size effects, and lipid hydrocarbon chain polarizability.

8 a solvent environment with a high degree of polarizability.

9 ge transfer" transition and the static axial polarizability.

10 ed for by attraction due to increased ligand polarizability.

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

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

13 es but show a larger dependence on molecular polarizability.

14 ill a challenging issue owing to their lower polarizability.

15 discrete phase change of pi in the nonlinear polarizability.

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

17 physically realistic treatment of electronic polarizability.

18 was used to determine the molecular optical polarizability.

19 licitly includes the treatment of electronic polarizability.

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

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

22 in silica gel and its control on interfacial polarizability.

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

24 pendent indices of refraction from isotropic polarizabilities.

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

26 emperature measurements show normal metallic polarizabilities.

27 in softer solids and correspondingly higher polarizabilities.

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

47 for the optimization of molecular electronic polarizability and hyperpolarizability.

48 Results showed that polarizability and inhibitory potency directly correlate

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

99 tabilize the transition states via field and polarizability effects.

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

116 ontribute significantly to the high apparent polarizability inside proteins.

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

118 The solute polarizability is allowed to change with electronic tran

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

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

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

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

123 when dielectric shielding due to electronic polarizability is neglected.

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

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

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

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

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

129 The high polarizability must therefore reflect water penetration,

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

131 5Y substitution causes a decrease in solvent polarizability near the chromophore ring structure.

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

169 1,1-disubstituted alkenol and the extent of polarizability of the ligand.

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

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

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

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

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

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

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

177 The high polarizability of the precursor allows instantaneous act

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

179 As the polarizability of the solvating ligands is increased thr

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

210 The DeVoe polarizability theory is used to calculate vibrational c

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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