ライフサイエンスコーパス: electrostatic

1 lysis of natural bond orbitals and classical electrostatics.

2 strictive actuators; photoexcited actuators; electrostatic actuators; and pneumatic actuators.

3 ffinity interaction to aptamer molecules and electrostatic adsorption to the HER2 analyte as well as

4 Hence, we identify an electrostatic anchoring mechanism underlying initial pla

5 oom temperature by appropriate design of the electrostatic and chemical environment.

6 g behavior reflects the different balance of electrostatic and conjugative interactions in the two ty

7 entary DNA, GNPs and MNPs, via the hydrogen, electrostatic and covalently bonds, were released from t

8 Here we use continuum electrostatic and QM/MM calculations to model benzoyl-Co

9 colloids cannot be explained by traditional electrostatic and steric mechanisms.

10 QD and NR4(+) results from a combination of electrostatic and van der Waals components, and that the

11 ee text](intra-atomic), [Formula: see text] (electrostatic) and [Formula: see text] (exchange), in co

12 s are stabilized through cooperative steric, electrostatic, and hydrogen-bonding interactions.

13 base switching of complexes formed from anti-electrostatic anion-anion homodimers of organophosphates

14 global conformational search and compaction electrostatics are energetically independent from the fo

15 d environmental changes enhancing the target electrostatics are validated against drug-target affinit

16 tional theory calculations confirm that this electrostatic arrangement affects the N-H bond length in

17 ction with the anionic microbial membrane is electrostatic, as its fungicidal activity is inhibited b

18 lts show the observed error is the result of electrostatic assumptions within the surface chemistry m

19 d chemistry and the protein's macromolecular electrostatics at slower time scales; that is, both Born

20 n, and the driving forces were attributed to electrostatic attraction and Lifshitz-van der Waals forc

21 The electrostatic attraction between heparin and protamine-s

22 Prominent among MA-PM interactions is electrostatic attraction between the positively charged

23 nteractions include pi-stacking and a CH...O electrostatic attraction between the substrate benzyl mo

24 Consequently, other forces than electrostatic attraction contributed to sorption.

25 tion, we challenge the popular paradigm that electrostatic attraction is solely responsible for polye

26 s tunneling barrier on the one hand, and the electrostatic barrier within the semiconductor, due to i

27 nts that are non-Born-Oppenheimer in nature (electrostatic), based on evaluations of protein mass dep

28 This role is not exclusively electrostatic, because an explicit inclusion of several

29 to the combined effects of ionic strength on electrostatic behavior of the interface and competitive

30 ay shows that the mechanism involves protein electrostatics between basic amino acid residues and aci

31 ation kinetics can be directly controlled by electrostatic bias applied between the device and the su

32 rocapsules (proteinosomes) that interact via electrostatic binding.

33 dering of stripe domains due to the modified electrostatic boundary conditions in BFO/LSCO/NGO film.

34 computational approach for understanding the electrostatic breakdown, and it is expected to stimulate

35 nergies fall within the theoretical range of electrostatic calculations.

36 ubstantial change in binding cavity size and electrostatic charge between the two configurations is u

37 the site of PA binding and sensing of the PA electrostatic charge.

38 r in which TatA monomers self-assemble using electrostatic 'charge zippers'.

39 is not mediated by the opposing superficial electrostatic charges, suggesting that non-electrostatic

40 We investigate the electrostatic charging of an agitated bed of identical g

41 These trends indicate that considerations of electrostatic complementarity, whether through a polar-p

42 with the fibril that extends beyond general electrostatic complementarity.

43 erstand the effect of pH on the formation of electrostatic complexes between lysozyme and low methoxy

44 nisin-low methoxyl pectin or nisin-alginate electrostatic complexes has led to the microencapsulatio

45 Here we report a novel feature: the electrostatic component of the force acting between a ki

46 ction between R10 molecules has an important electrostatic component.

47 However, electrostatic components mask the role of stabilizing or

48 rent structural contexts and under different electrostatic conditions.

49 ased the DNA unwinding rate, suggesting that electrostatic contacts with the excluded strand act as a

50 The electrostatic contribution is reflected in the 'sigma ho

51 vided compelling evidence supporting a major electrostatic contribution to enzymatic catalysis.

52 CP binding has an electrostatic contribution, but assembly nucleation is d

53 tionless transistor topology, offer enhanced electrostatic control of the channel (4-12) .

54 induced by thermal or chemical means; purely electrostatic control over crystal phases through electr

55 3.1.8.1), is produced in aqueous solution by electrostatic coupling of the hexahistidine tagged OPH (

56 gular quantum well and localized excitons by electrostatic coupling.

57 red in applications including EMI shielding, electrostatic discharge protection, and electrets.

58 le interaction is predicted to stem from the electrostatic dislocation of indole highest occupied mol

59 Until now, however, the substantial electrostatic disorder of the solid state has meant that

60 xes, cholesterol-mediated DNA anchoring, and electrostatic DNA binding to supported lipid bilayers (S

61 Two gating effects, the electrostatic doping and electrochemical reaction, are d

62 Conventional understanding of the electrostatic doping is in terms of modifications of the

63 rostatic control over crystal phases through electrostatic doping was recently proposed as a theoreti

64 e to oxygen vacancy formation rather than to electrostatic doping.

65 This electrostatic-doping control of structural phase transit

66 report the experimental demonstration of an electrostatic-doping-driven phase transition between the

67 teract with each other and the pore wall via electrostatic double layer forces.

68 ren and day-care workers (602 samples) using electrostatic dust collectors (EDC).

69 Additionally, we demonstrate that electrostatic dye-dye repulsions are negligible for the

70 ly dynamic and likely controlled by a strong electrostatic effect at the electrode/solution interface

71 In most AFM-based measurements, a concurrent electrostatic effect between the AFM tip/cantilever and

72 ed measurements that are subject to a strong electrostatic effect between the AFM tip/cantilever and

73 This electrostatic effect often hinders accurate measurements

74 quantify as well as remove the impact of the electrostatic effect on AFM-based measurements.

75 In this study, we examine the impact of the electrostatic effect on the electromechanical (EM) respo

76 in the equatorial conformer, a destabilizing electrostatic effect that is shielded by the polar envir

77 large as approximately 6.0, indicating that electrostatic effects have similarly significant impact

78 ucture-based molecular simulations, with the electrostatic effects of Manning counter-ion condensatio

79 the influence of lipid lateral pressure and electrostatic effects on the in vitro reconstitution, fo

80 Hyperconjugative, steric, and electrostatic effects were evaluated as possible sources

81 Tube assembly is strongly influenced by electrostatic effects, and is a nucleated process that r

82 zations, which indicate dominating steric or electrostatic effects, this analysis indicates that hype

83 lear, i.e. hydrophobic/steric effects versus electrostatic effects.

84 junctions (DeltaGHJH) or from changes in the electrostatic environment (DeltaG+/-) will not affect th

85 By contrast, we show that the electrostatic environment plays a large and stabilizing

86 We find that PSF fundamentally alters the electrostatic environment within hTIM3's Ca(2+) binding

87 Electrostatic field assistance is applied to improve NP

88 A positive electrostatic field emanating from the center of the aqu

89 e energetic consequences of the nucleic acid electrostatic field.

90 We demonstrate that long-range electrostatic fields emanating from the oxide lead to st

91 Electrostatic fields tune the ground state of interfaces

92 from artificially created electromagnetic or electrostatic fields.

93 t are extremely confined and controllable by electrostatic fields; however, electrical detection of p

94 C plot due to the change in magnitude of the electrostatic force alone is remarkable.

95 ses at forward bias because of an attractive electrostatic force between the positively charged Fc un

96 lectron microscopy, and a recently developed electrostatic force microscopy technique, DREEM (dual-re

97 ue, DREEM (dual-resonance frequency-enhanced electrostatic force microscopy).

98 DelPhiForce web server enables modeling of electrostatic forces on individual atoms, residues, doma

99 Stability was compromised by repulsive electrostatic forces originating from clustering of poin

100 l electrostatic charges, suggesting that non-electrostatic forces participate in the arrangement of n

101 Reversible electrostatic forces reduce parasitic power consumption

102 These are assembled through steric and electrostatic forces, where the anions reside in equidis

103 se as well as, eventually, for obtaining the electrostatic-free EM response.

104 Altered surface electrostatics from the phosphoserine group disrupt its

105 chiral transport prevents the simple use of electrostatic gates to define electron-optical devices i

106 Full laser switching is performed by electrostatic gating of the metamaterial/graphene device

107 larger than that expected from conventional electrostatic gating, suggesting the possible role of a

108 ounted for quantitatively by straightforward electrostatic generalization of a previously introduced

109 ntum computational analyses strongly support electrostatics, in the form of orthogonal dipole-dipole

110 rgue that additional types of long-range non-electrostatic interaction are responsible for intrafibri

111 Herein, by exploiting the electrostatic interaction between carbon networks and po

112 TLC was found to be largely dominated by the electrostatic interaction between charges on the cell wa

113 presence of both DOPE and AuNP decreases the electrostatic interaction between DOTAP and MPA layer du

114 We investigated PM-AMP electrostatic interaction by attenuated total reflection

115 We demonstrate that electrostatic interaction provides a highly sensitive ya

116 This ligand-substrate electrostatic interaction provides a unique control elem

117 ent organic frameworks etc.) also having the electrostatic interaction with polymerized ionic liquids

118 ighly anionic surface charge of WPH-Ever for electrostatic interaction with zinc.

119 ble state by strengthening motor-microtubule electrostatic interactions also increases processivity.

120 by entropic forces that originate in steric-electrostatic interactions among SNAREpins and membranes

121 On the basis of RT-qPCR data, electrostatic interactions and an ion-exchange mechanism

122 It was found that both electrostatic interactions and cation-pi interactions re

123 he AH adjuvant cannot be explained solely by electrostatic interactions and ligand exchanges.

124 tom of SO2 firmly via S(delta+) ...F(delta-) electrostatic interactions and O(delta-) ...H(delta+) di

125 erformed with model proteins, suggested that electrostatic interactions and phosphate-hydroxyl ligand

126 with different affinities, showing that both electrostatic interactions and plant cell wall microstru

127 esolutions, and underscore the importance of electrostatic interactions as a driver of selectivity.

128 The results reveal electrostatic interactions as the common driver of selec

129 FTIR spectra showed electrostatic interactions as well as hydrogen bonding b

130 te for asymmetric catalysis, is dominated by electrostatic interactions at long range and by CH...O i

131 espectively undergo repulsive and attractive electrostatic interactions at these pH values.

132 can be fully explained by the differences in electrostatic interactions between DNA and the [4Fe4S] c

133 quantum mechanical in origin and arise from electrostatic interactions between fluctuations in the e

134 Our findings suggest that the electrostatic interactions between lipid and protein mol

135 Electrostatic interactions between negatively charged PM

136 at successive proline sequence positions and electrostatic interactions between positively charged am

137 r pairing is mainly based on hydrophobic and electrostatic interactions between residues at positions

138 ution of products formed as a consequence of electrostatic interactions between solvated cations pres

139 analysis indicated the delicate role of the electrostatic interactions between the charged subunits

140 The water plasma can destroy the electrostatic interactions between the host metal layers

141 emperature, implying it is modulated by both electrostatic interactions between the involved protein

142 vity may be attributed primarily to specific electrostatic interactions between the modulators and th

143 kel charge model, to probe the importance of electrostatic interactions both in the early and the lat

144 When electrostatic interactions conferred by the arginines ar

145 r the "charged" surface by a variety of weak electrostatic interactions create a flexible and structu

146 It is also shown that electrostatic interactions dominate over cation-pi inter

147 Electrostatic interactions dominated at pH 7, while hydr

148 istribution and population shift in specific electrostatic interactions drive the allosteric modulati

149 e highlight the potential importance of such electrostatic interactions for describing the binding re

150 larger contributions from phonon-phonon and electrostatic interactions for T > 110 K and larger cont

151 ication have predicted an important role for electrostatic interactions in enzymatic reactions, yet t

152 rnal gate electrode and unravel a variety of electrostatic interactions in high-k films.

153 We characterized the role of electrostatic interactions in stabilizing the beta-clamp

154 rol, but not dimethoxy-nitrostilbene, engage electrostatic interactions in the enzyme cavity, and wit

155 The role of electrostatic interactions in the formation of lysozyme/

156 ions to retain the suspension signified the electrostatic interactions in the matrix surrounding lyc

157 nsition state is minimized, and (b) when the electrostatic interactions in the O---H---C moiety are m

158 face, and mutational analysis indicates that electrostatic interactions in this 3D pocket modulate Mt

159 We find that intramolecular electrostatic interactions influence the unbound states

160 ntersubunit cavity expanded and intersubunit electrostatic interactions involved in channel activatio

161 Thus, electrostatic interactions involving the eIF1A NTT stabi

162 how the complex interplay between steric and electrostatic interactions is influenced by a straightfo

163 Our study shows how sterically directed electrostatic interactions may assemble stable outer-sph

164 Remodelling of electrostatic interactions near the Cbeta H3 helix at th

165 predictions, suggesting that evaluating the electrostatic interactions of a compound with the prosth

166 e uses the interplay between hydrophobic and electrostatic interactions of disordered proteins to orc

167 bic core of the ET domain, and reinforced by electrostatic interactions of JMJD6 with residues in the

168 H4K16Ac disrupts the electrostatic interactions of K16, weakens H4 tail-acidi

169 ten regulated by molecules that modulate the electrostatic interactions of the protein subunits for v

170 ore-microtubule attachments by strengthening electrostatic interactions of the tail with the microtub

171 a mixture of conformers stabilized by either electrostatic interactions or hydrophobic interactions i

172 Electrostatic interactions play a fundamental role in th

173 alysis of residue contacts, we conclude that electrostatic interactions play an important role in sta

174 teractions with HNE and overcome nonspecific electrostatic interactions that can otherwise dominate.

175 n an ion paired complex gives rise to strong electrostatic interactions that could be used to energet

176 De Nardis et al. identify specific electrostatic interactions that facilitate efficient het

177 the polymer interacts with the aptamer, via electrostatic interactions thereby rendering the fluores

178 y share hydrogen bonds and Van der Waals and electrostatic interactions with ACE catalytic pockets.

179 teractions within the biofilm matrix through electrostatic interactions with extracellular DNA.

180 of negatively-charged proteins to avoid the electrostatic interactions with ribosomes that would dra

181 ns with the L1 loop of CENP-A, stabilized by electrostatic interactions with the nucleosomal DNA.

182 ly reduced effective charge and thus reduced electrostatic interactions with the V2 O5 framework, eff

183 results further suggest that intermolecular electrostatic interactions, and in particular non-native

184 c interactions, and in particular non-native electrostatic interactions, are involved in formation of

185 HB) and halogen bonding (XB) are essentially electrostatic interactions, but whereas hydrogen bonding

186 The former adheres to the substrate by electrostatic interactions, covalent bonds, and physical

187 While the Cu diborene bond is dominated by electrostatic interactions, giving rise to S1 and T1 sta

188 bilized in SCU-8 by driving forces including electrostatic interactions, hydrogen bonds, hydrophobic

189 were casted on this layer and bound through electrostatic interactions, involving hydrogen and ionic

190 etric considerations, interfacial curvature, electrostatic interactions, partition coefficients and m

191 volve a plethora of reversible interactions: electrostatic interactions, pi-pi stacking, hydrogen bon

192 t on DNA superhelicity and relying mainly on electrostatic interactions, respectively, and measuremen

193 apparently as a consequence of non-specific electrostatic interactions, supporting the role of XRCC1

194 e with membranes through similar multivalent electrostatic interactions, without specific binding poc

195 ds are strongly negatively charged, and thus electrostatic interactions-screened by ions in solution-

196 ological salt by non-specific, predominantly electrostatic interactions.

197 on modified carbon nanotubes (CNTs) through electrostatic interactions.

198 the C-terminal ATPase lobe through conserved electrostatic interactions.

199 ontrol of the DNA phosphodiester backbone by electrostatic interactions.

200 e diagrams establishes an important role for electrostatic interactions.

201 (CDRs) during affinity maturation to enhance electrostatic interactions.

202 the stability of the associations along with electrostatic interactions.

203 particular we uncover the role of non-native electrostatic interactions.

204 cationic core of the unimolecular NP through electrostatic interactions.

205 ive to the lipid bilayer via hydrophobic and electrostatic interactions.

206 tions for multiple Fc molecules are based on electrostatic interactions.

207 d ionic radii, as expected for predominantly electrostatic interactions.

208 from 35 to 219 A(3) via hydrogen bonding and electrostatic interactions.

209 l spatial discrete model that describes both electrostatic interlayer screening and fringe field effe

210 promote oligomerization of kalata B1 through electrostatic intermolecular contacts via their compleme

211 we report the voltammetric quantification of electrostatic ion enrichment in a 5-20 nm thin electroch

212 l surfaces via hydrogen, metal coordination, electrostatic, ionic, or hydrophobic bonds, creating a s

213 ection are improved in the cartridge with an electrostatic lens and sheath gas manifold compared to t

214 ith and without a sheath gas manifold and an electrostatic lens are compared with respect to analytic

215 SPR biosensors utilizing nanoscale-specific electrostatic levitation phenomena in their sensitive la

216 An electrostatic linear ion trap (ELIT) has been configured

217 e with harmonic order in a Fourier transform electrostatic linear ion trap (ELIT) mass spectrometer.

218 -R375 salt-bridge, which normally acts as an electrostatic lock to prevent coordination of adenosine

219 are particularly unique in that they lack an electrostatic loop for substrate guidance and have an un

220 es rRNA, and association is predominantly by electrostatic mechanisms.

221 vesicles are fluorescently labelled with the electrostatic membrane probe Fluoresceinphosphatidyletha

222 erties of the ion atmosphere and provides an electrostatic meter that will allow local electrostatic

223 We further devise an electrostatic model that shows this change in DNA-bindin

224 The results suggest that electrostatics modulates the activation of nanoscale dyn

225 the nucleophile is not necessarily of purely electrostatic nature but may also contain a significant

226 are prevented by the combination of intense electrostatic noise produced by the protein-water interf

227 Understanding the electrostatics of lipid membranes at a molecular level h

228 roductively benefit from optimization of the electrostatics of the protein scaffold in early stages o

229 by chemical bonding forces, despite powerful electrostatic opposition that challenges conventional ch

230 ch as average shape, hydrophobic regions and electrostatic patterns of active compounds were mined an

231 atalytic activity, most likely by causing an electrostatic perturbation at the active site.

232 e correlation between minor-groove width and electrostatic potential (EP).

233 of sigma-holes, i.e., maxima in the surface electrostatic potential (VS,max), due to the overlap of

234 Our findings indicate that the average electrostatic potential across the halogen ligands (the

235 As seen through its charge distribution and electrostatic potential analyses, the negative charge on

236 -level details that dictate a nanoparticle's electrostatic potential and demonstrates the sensitivity

237 an electrostatic meter that will allow local electrostatic potential and energetics to be measured wi

238 y inhomogeneous electrical current paths and electrostatic potential associated with the structural d

239 ts RSV MA-membrane association by making the electrostatic potential at the membrane surface more neg

240 contributions and extract estimates for the electrostatic potential at the position of protonation.

241 led us to re-parameterize hydrogen bond and electrostatic potential energy functions.

242 rms of similarity or generating ensembles of electrostatic potential files for a library of mutants t

243 sson-Boltzmann Solver to generate grid-based electrostatic potential files for protein structures pro

244 ons due to the partial decoration causes the electrostatic potential lower in the decorated graphene

245 ternate-calix[4]arene scaffold and molecular electrostatic potential of its surface.

246 mbrane helices 8 and 9, which influences the electrostatic potential of the crucial Na(+)-coordinatin

247 a values, NICS aromaticity calculations, and electrostatic potential surfaces revealed a unique isoel

248 ave been applied to quantitatively model the electrostatic potential surrounding nucleic acids and th

249 onic ground state and by perturbation of the electrostatic potential through point mutations, loop en

250 is overall more reliable than the molecular electrostatic potential.

251 quantitatively comparing sets of grid-based electrostatic potentials in terms of similarity or gener

252 he first time, a detailed description of the electrostatic potentials of the actinyl tetrahalide dian

253 es subtle but significant differences in the electrostatic properties and solvent penetration of the

254 First, the electrostatic properties of differ from in terms of dens

255 By tuning the electrostatic properties of lipid membranes, we could mo

256 begun to characterize the conformational and electrostatic properties of ssDNA in association with SS

257 ning the highest LPS contents studied due to electrostatic repulsion and abolishes membrane damage to

258 s surface charge density (r(2) = 0.94) while electrostatic repulsion and loss of positive charge due

259 the DNA bridge caused by the large change in electrostatic repulsion between NPs when the dimers move

260 ly stable in the gas phase because of strong electrostatic repulsion between the extra electrons.

261 xcess of acid fully expands the cages due to electrostatic repulsion between the positively charged s

262 idated ssNA conformation at low force, where electrostatic repulsion leads to a strong excluded volum

263 the headgroups of anionic lipids experience electrostatic repulsion that, being exerted asymmetrical

264 ng monomers, compensating for intermolecular electrostatic repulsion, as a mechanism to control the l

265 ts in dispersion of the AgNPs as a result of electrostatic repulsion, giving rise to a detectable col

266 structures, folding overcomes intramolecular electrostatic repulsions and forces local dipoles in eac

267 ane partitioning, alpha-helix formation, and electrostatic repulsions between acidic side chains, whi

268 of chain backbone entropy and salt-dependent electrostatic repulsions.

269 o the best extent, likely due to the reduced electrostatic repulsive force and presence of the additi

270 ted as the result of the competition between electrostatic repulsive forces and attractive molecular

271 e of the dynamics of ion reconfiguration and electrostatic responses of the EMMIM TFSI.

272 intercalating water molecules that cause the electrostatic screening (shielding) of hydrogen bonds in

273 tatively described by an analytical model of electrostatic screening that ascribes to the polymer an

274 volcanii due to electrostatic screening.

275 assemble by using a novel approach based on electrostatic self-assembly.

276 y, and H-bonding characteristics showed that electrostatic, solvophobic, and van der Waals dispersion

277 perties they may be used to study, including electrostatics, stability and folding, hydrogen bonding,

278 Electrostatic stabilization of charged solutes works wel

279 Due to electrostatic stabilization, these QDs are readily dispe

280 , the simulations indicate that disorder and electrostatic steering function jointly to recruit ATAD2

281 and swelling, explained by the occurrence of electrostatic stiffening of the polymer chains at large

282 able of direct coacervate membranization via electrostatic surface anchoring and chain self-associati

283 protein-protein interactions through altered electrostatic surface charges and increased accessibilit

284 e demonstrate the delicate interplay between electrostatic swelling in bicontinuous structures formed

285 The "electrostatic switching/hydrophobic anchoring" mechanism

286 This electrostatic tension between the Cu(+) and Cu(0) surfac

287 rmlike chain model incorporating an internal electrostatic tension.

288 Electrostatic tethering to framework aluminum centers li

289 d by a subtle interplay of DNA mechanics and electrostatics, that the changes in flexibility induced

290 Electrostatic theories have been applied to quantitative

291 m to further test the basic predictions from electrostatics theory and to measure the energetic conse

292 Although classical electrostatics theory predicts that ions are repelled fr

293 olecule experiments demonstrating the use of electrostatics to control molecular binding.

294 passages to the pore and creating a negative electrostatic trap, with a preference for divalent catio

295 ties of an empty HIV-1 capsid, including its electrostatics, vibrational and acoustic properties, and

296 ts underscore the debate on the true nature, electrostatic vs. electrochemical, of the doping of cupr

297 Multiconformational continuum electrostatics was used to calculate the coupled thermod

298 ed by solitary waves in the linear stage and electrostatic whistler waves in the nonlinear stage.

299 gnificant similarity in 3D shape and surface electrostatics with few, hitherto best known inhibitors

300 for lipid binding that extends beyond simple electrostatics; within this code lysine and arginine res