ライフサイエンスコーパス: electron density

1 at oxygen coordinated to Mg has the greatest electron density.

2 the significant zwitterionic distribution of electron density.

3 ination of covalent radius, ionic radius and electron density.

4 3K27M cancer mutant peptide, better fits the electron density.

5 the plasma to Fermi liquid regime by varying electron density.

6 gy on nanocrystal composition and changes in electron density.

7 nd backbone fragments to locally explain the electron density.

8 icient map (mu map) that is a measure of the electron density.

9 is limited to what is available in the mean electron density.

10 tial phase contrast in view of the projected electron density.

11 due to their metallic character and a high d-electron density.

12 physical properties not directly related to electron density.

13 by DFT calculations and the analysis of the electron density.

14 of free or vesiculated material of different electron density.

15 id strength but also inherent conjugate base electron density.

16 re and located its various components in the electron density.

17 th zero electrical conductivity or with zero electron density.

18 ncentric flanking protrusions, and a central electron density.

19 -I-N](+) halogen bonds, independent of their electron density.

20 th is virtually unaffected by changes of the electron density.

21 ligands that allow pi delocalization of the electron density.

22 and 3 featuring zwitterionic distribution of electron density.

23 ation enables the reconstruction of absolute electron densities.

24 l the balance between negative ions and free electron densities.

25 w strongly correlated electron liquid at low electron densities.

26 photons, to image chemically active valence electron densities.

27 lating ionospheric emissions and suppressing electron densities.

28 into a relatively dense surrounding medium (electron density ~10(3) centimeters(-3)) and has survive

29 y resolved gas temperatures (378-1438 K) and electron densities (2-5 x 10(14) cm(-3)).

30 bilayer membrane is 4.6 nm thick, with a low-electron-density, 2.0-nm-thick hydrocarbon core.

31 that in addition to this mislocalization of electron density, a class II IN mutation and ALLINIs eac

32 ery sensitive to changes in the surface free electron density, a property that is unique to the near-

33 nges of chromaffin cells including increased electron density, abnormal linearity and invaginations.

34 The influence of nucleophile electron density, alkene substitution pattern, tether le

35 Electron density also displayed the Lys-98 side chain co

36 y powerful concepts, experimentally only the electron densities and -energy levels are directly obser

37 d between QTAIM metrics (bond critical point electron densities and delocalization indices) and the a

38 ility of anionic Ir complexes to share their electron density and accommodate higher oxidation states

39 t Standalone contains, among other features: electron density and contact map visualizations, multipl

40 The plasma electron density and electrical conductivities in the ch

41 ined unstable capsids that lacked associated electron density and exhibited impairments in early post

42 , capable of accounting for heterogeneity in electron density and ionization potential.

43 arge transfer, greatly enhanced by increased electron density and reduced aromaticity at chromophore

44 us, these core structures are independent of electron density and substituent modulations of the arom

45 charge state distribution of the system, the electron density and temperature, and the timescales of

46 Less well defined electron density and the analysis of surface features in

47 the formation of conical cores with internal electron density and the infectivity of a class II IN de

48 However, the free electron density and work function decrease as the Ni co

49 We propose that the electron density and, therefore, reactivity of the MoS2

50 exchange energy was proved for one- and two-electron densities, and conjectured for all densities.

51 wer energies due to hyperconjugation with Ni electron density, and engaging this density via protonat

52 avity conformations become observable in the electron density, and over the series two other major co

53 h no detectable associated modulation of the electron density, and thus has nematic rather than smect

54 ) ligands could be ascribed to a decrease in electron density around the aluminum atom, which causes

55 nO4 and determine the equilibrium defect and electron densities as a function of growth temperature a

56 ed aromatic systems feature a broad range of electron density as indicated by the calculated values f

57 ive analysis energies, volume of transferred electron density as provided by ETS-NOCV analysis, and d

58 s during apoptosis, including an increase in electron density as visualized by electron microscopy an

59 1, does not bind actin in vitro and that the electron density assigned to it in the original structur

60 large envelope protein spikes and no visible electron density associated with a Gag lattice.

61 were constructed to assess the net change in electron density associated with each NUV-NIR absorption

62 ion, a sulfate ion has been modeled into the electron density at a location similar to the S3 binding

63 A strategy for the control of electron density at a metal center is reported, which us

64 disfavoring mechanisms that involve unpaired electron density at C3 of the indole ring.

65 h N-aliphatics prevented apFr, due to higher electron density at P.

66 The electron density at the bridge was tuned by substituents

67 lar orbital calculations revealed diminished electron density at the carbene nucleus upon photocycliz

68 nating substituents that allowed for greater electron density at the center of the aromatic ring show

69 actions respond differently to the degree of electron density at the metal center because they occur

70 ryl C-H borylation decreases with decreasing electron density at the metal center of the Ir catalyst,

71 orylation is less sensitive to the degree of electron density at the metal center of the Ir catalyst.

72 ced chemical enhancement is due to increased electron density at the noble-metal nanoparticles, and d

73 DNA lesions may reduce the electron density at the nucleobases, making them prone t

74 Using electrical top gating to control the electron density at the oxide interface, we directly obs

75 le and evidenced by geometric, magnetic, and electron density based aromaticity indices (HOMA, NICS-X

76 Databank concept assumes transferability of electron density between atoms in chemically equivalent

77 ligand, the nucleophilic Cys95, and a gap in electron density between V and S.

78 The electron density buildup that is observed at the Fe(II)

79 ffective control of localized transient free electron densities by temporally shaping the fs pulses.

80 and result from polarization of the Fmu-atom electron densities by the exposed core charges of the te

81 Using electron density calculations, we were able to predict t

82 CeH-BTC displays low steric hindrance and electron density compared to homogeneous organolanthanid

83 The terminal layer shows a reduced electron density compared to the following substrate lat

84 om is surrounded by a torus of xenon valence electron density comprised of the three valence electron

85 ound to Lmod2's ABS2 and WH2 domain, with no electron density connecting these two domains.

86 ed central portion of alpha1 and a bridge of electron density consistent with a predicted salt bridge

87 ctural studies with 6-CP and SAM also reveal electron density consistent with the ester product being

88 eate an intramembrane pocket with additional electron density corresponding to a bound cholesterol mo

89 he tetrapyrrole, but for P-TMI the NTOs have electron density delocalized over the two units as a res

90 hed electron-hole recombination dynamics and electron density dependence of hole lifetimes.

91 esence of N-N bonds; and (3) distribution of electron density depends heavily on the structural patte

92 Time-dependent maps of electron density derived from the diffraction data demon

93 d via projected density of states (PDOS) and electron density difference iso-surface analyses and vib

94 The accurate electron density distribution and magnetic properties of

95 sures and from the experimentally determined electron density distribution at 7.7 GPa; the observatio

96 ray phase-contrast imaging characterizes the electron density distribution in an object without the n

97 The electron density distribution is more diffuse between ad

98 , X-ray diffraction experiments supported by electron density distribution maps confirmed triphenylen

99 The electron density distribution of lipid labels shows that

100 followed by the topological analysis of the electron density distribution within the formalism of Ba

101 imensions, CDI can thus recover the sample's electron density distribution.

102 in its ground state is fully defined by its electron density distribution.

103 magnetic properties reveals that the oblate electron density distributions of the Tb(3+), Dy(3+), an

104 also found for other molecules with atypical electron density distributions, e.g., cubane, bicyclo[2.

105 scenario in CN by displaying the calculated electron density distributions, from which the distinct

106 Electron density due to DNA was identifiable by the groo

107 lectively de-intercalated, which reduces the electron density due to the requirement of electroneutra

108 veals an evolution of lattice parameters and electron density during the crystallisation process and

109 The theoretical evaluation of electron density, electron localization function, Wannie

110 of the liquid water and the diffuse tail of electron density emanating from the metal surface.

111 The resulting models fit into electron density envelopes generated by small-angle x-ra

112 ular film leads to unusual redistribution of electron density: essential modification of nitrogen sit

113 d X-ray imaging of chemically active valence electron densities extremely challenging.

114 ther side of the coin: the energy-minimizing electron densities for atomic species, as produced by 12

115 However, the electron densities for the DNA molecules are weak enough

116 r, as evidenced by a nearly complete loss of electron density for as many as 23 aa.

117 ificant order in the glycan with appropriate electron density for nine residues.

118 The structure revealed a well defined electron density for p261C and the phosphodiesterase and

119 In both structures discontinuous electron density for the 99-loop indicates that this loo

120 ed, and this is partly due to the absence of electron density for the C-terminal domains in the x-ray

121 DA method, which automatically reveals clear electron density for the changed state-even from inaccur

122 Interestingly, electron density for the first alpha-helix of the lid do

123 The electron density for the ligand indicated a high occupan

124 ch correspond with experimentally determined electron density found in the selectivity filter of the

125 vicinities and allows reconstruction of the electron densities from experimental structural data.

126 to ionic volumes by Bader's partitioning of electron densities from X-ray diffraction obtained via a

127 ar charge transfer (ICT) leads to a shift of electron density from electron-donating substituents, wh

128 While the aromatic system of P(L) receives electron density from its periphery, the electron densit

129 s understandable in terms of the movement of electron density from phosphorus in the HOMO of PCO(-) t

130 t strongly bonded metals (Rh, Ir) transfer d-electron density from the adsorbed cluster to niobium at

131 ntly decrease due to the greater transfer of electron density from the catalytic metal center to the

132 study electrons in solution, and to tune the electron density from the extremes of electrolytic throu

133 g constants provide evidence for donation of electron density from the Nb d-orbitals into the antibon

134 d is a result of extensive delocalization of electron density from the transition-metal center onto t

135 rings could explain the lower-than-expected electron densities in Saturn's atmosphere.

136 te up to the ionosphere generating disturbed electron densities in the E and F regions.

137 of TbPIF8-depleted cells shows heterogeneous electron densities in the kinetoplast disk.

138 plications is the need for homogeneous, high electron densities in three-dimensions (3D).

139 easuring the radial distribution function of electron density in >4000 viral images per sample, assig

140 Using this process flow, the electron density in a patterned Si/SiGe heterostructure

141 Increasing the electron density in BF2-coodinated azo compounds through

142 four binding sites with approximately equal electron density in crystal structures with high K(+) co

143 l method to restore the details from blurred electron density in crystals with high overall temperatu

144 anisotropic diffraction correction improves electron density in many cases but should be used with c

145 f both the inter-atomic distance and valence electron density in MGs, and result in the observed univ

146 4 Schottky junction, and increases the local electron density in MoB surface, confirmed by multiple s

147 absence of apocarotenoid substrate and found electron density in the active site that was similar in

148 ative insulin fold with incomplete or absent electron density in the C domain; complementary NMR stud

149 ed weakening of the O-O bond from the higher electron density in the d orbital of copper are central

150 val method we obtained the three-dimensional electron density in the film, buffer layer, and topmost

151 ond-sphere Lewis acid binding that modulates electron density in the first coordination sphere.

152 ogen that leads to a further decrease in the electron density in the N-oxyl radical.

153 have evidenced a significant decrease of the electron density in the porphyrin dimers 3 and 4 upon co

154 a substrate and a consequent decrease of the electron density in the vanadium 3d levels.

155 We observed electron density in this tunnel from a co-purified molec

156 g alternative conformations at low levels of electron density, in addition to comparison of independe

157 phers can utilize crowdsourcing to interpret electron density information and to produce structure so

158 detailed information on the distribution of electron density, interatomic distances, and the orienta

159 om inserts into the C-H bond and donates its electron density into the C-H bond's antibonding orbital

160 t of the coordination with the NHC injecting electron density into the metal nanocluster thus lowerin

161 esolved imaging of chemically active valence electron densities is a long-sought goal, as these elect

162 multiple bonds between boron atoms to donate electron density is highlighted in reactions where dibor

163 only possible for delays </=1 mus, when the electron density is large enough to ensure collisional e

164 Rhodobacter sphaeroides in which some of the electron density is modeled as a porphyrin.

165 In crystals with Cs(+) replacing K(+), S1 electron-density is present even in the presence of Lys2

166 al center via polarization of its sigma bond electron density, known as a Kubas complex, is the means

167 butyl substitution on the charge density and electron density localization of the nitronyl carbon as

168 of full length Apaf-1 and a single particle, electron density map at ~9.5 A resolution.

169 The electron density map displays covalent binding of the Th

170 be determined, resulting in an experimental electron density map good enough for automated building

171 of over 50% of the mass were fitted into the electron density map in a manner consistent with protein

172 a Bank and show that sharpening improves the electron density map in many cases across all resolution

173 ted fibers, including pattern simulation and electron density map reconstruction, and solid-state NMR

174 Analysis of the electron density map revealed that CD2AP consists of a c

175 at 2.85-A resolution provided a good quality electron density map showing a modified Cys residue, lik

176 re analyzed using an experimental MAD-phased electron density map that was calibrated to an absolute

177 though encapsulated SP is not visible on the electron density map, using calibrated FRET and order-of

178 -linked GlcNAc sugar was well-defined in the electron density map.

179 patterns used to produce a 1.6-A resolution electron density map.

180 hin the fibers, and the construction of a 3D electron density map.

181 Electron density mapping reveals the formation of Co-H-C

182 We used differential electron density mapping to detect membrane integration

183 reprocessing produced small improvements in electron density maps and the refined atomic model.

184 ructure, different intensities and shapes of electron density maps corresponding to the nucleotide an

185 Analyzing the rescaled electron density maps from 485 representative proteins r

186 Fitting of this atomic model to electron density maps from cryo-electron microscopy indi

187 of 25 pN sustains the toroid and yields DNA electron density maps highly consistent with the experim

188 With the use of partial models and electron density maps in searches for anomalously scatte

189 Comparing the electron density maps in the free and nucleotide-bound s

190 The electron density maps indicate that gas molecules prefer

191 oxidation of the Hb mutant crystals leads to electron density maps indicative of Asp(E11) formation i

192 l of precision, thanks to the quality of the electron density maps obtained from what is currently th

193 cally significantly lower in resolution than electron density maps obtained from X-ray diffraction ex

194 ed high-resolution, time-resolved difference electron density maps of excellent quality with strong f

195 res for PilM, PilN, PilO, and PilA4 into the electron density maps of the transmembrane complexes was

196 o classic crystallographic problems: putting electron density maps on the absolute scale of e(-)/A(3)

197 cations and subsequent 3D reconstructions of electron density maps show that Ltn1 has an elongated fo

198 Electron density maps show that NAD(+) does not bind to

199 he information contained in the experimental electron density maps to accurately determine the bindin

200 s were placed into the BoNT/A1 and BoNT/B PC electron density maps to generate unique detailed models

201 symmetries, which can lead to indecipherable electron density maps, can be overcome.

202 Radial Distribution Function (RDF) methods, electron density maps, computational density functional

203 uctures of these Fab fragments into the cryo-electron density maps, we show that Fab fragments of ant

204 l as the resulting refined atomic models and electron density maps.

205 nging to identify these conformations within electron density maps.

206 retation of high resolution cryoEM and x-ray electron density maps.

207 build and real-space refine structures into electron density maps.

208 t, and has a strong impact on the quality of electron-density maps.

209 esidue, which is recognizable in the cryo-EM electron density, may function as an attachment site of

210 rresponding to different temperature (T) and electron density (N(e)), searching the best correlated p

211 llustrate a Stark broadening analysis of the electron density Ne and temperature Te in a laser-induce

212 rrent relationship, current density (j), and electron density (ne), suggests that pulsed microdischar

213 We demonstrate that the electron density near the hydrogen nucleus in an OH(-) i

214 of this structure is occupied by additional electron density not accounted for by the protein sequen

215 n temperatures of 1.9-2.3 million kelvin and electron densities of (0.7-4.0) x 10(22) per cubic centi

216 phene, such as chemical doping, have yielded electron densities of 9.5 x 10(12) e/cm(2) or below.

217 collisions in partially ionized regions with electron densities of a few hundred per centimeter cubed

218 A re-examination of electron densities of shark Na,K-ATPase is consistent wi

219 EPMM, we first reconstructed the aspherical electron density of 12 aminoglycoside-RNA complexes from

220 This oscillation frequency corresponds to an electron density of about 0.08 cm(-3), very close to the

221 The impact of tether length and electron density of both the nucleophile and olefin on t

222 ring structures as well as changes in the pi-electron density of edge states.

223 The electron density of LUMO of nitro analogues 9 and 15 is

224 hemistry maximizes at a well-defined average electron density of Nmax approximately (1.4 +/- 0.4) x 1

225 ve effect of perfluorination on lowering the electron density of the adjacent sulfonate group, thereb

226 ves electron density from its periphery, the electron density of the aromatic ring of P(M) is decreas

227 ave been identified that involve donation of electron density of the carboxylate to the C horizontal

228 The cryo-EM map reveals strong electron density of the chains of metal clusters running

229 tural resonance theory (NRT) analysis of the electron density of the DFT-minimized structure of 2.

230 ttribute these changes to differences in the electron density of the electronic states of the structu

231 An increased electron density of the halogen bond acceptor stabilizes

232 The observed electron density of the low-latitude ionosphere, however

233 Either manipulation modulates the electron density of the pair to prevent it from reestabl

234 Electron density of the phenyl ring dictates the reactio

235 The systematic change of electron density of the pyridine nitrogens upon alterati

236 hase, which is proportional to the projected electron density of the sample.

237 ctural map explains the vast majority of the electron density of the scaffold.

238 of both anomers can account for the observed electron density of the UDP-glucose complex.

239 the significantly high (higher than solvent) electron density of the void inside the hollow shell.

240 , and developed a protocol that enhances the electron-density of the labeled cells while retaining th

241 This distortion of electron density off an interatomic axis is often descri

242 ansition involving donation of the lone-pair electron density on both Sb(III) and Sn(II) to the POM.

243 Adsorption sites with abundant electron density on edges and surfaces of MoS2 can adsor

244 vatives complied with the notion that higher electron density on O-3 increased 1,3-syn-diaxial repuls

245 t demonstrates the influence of the relative electron density on the aryl substituent of the hyperval

246 ation Pt(II) centre to Pt(0) and decrease of electron density on the bromine atoms.

247 By manipulating electron density on the substituents around phosphorus a

248 We have investigated the influence of electron density on the three-center [N-I-N](+) halogen

249 We show that either increasing electron density or decreasing the aromaticity of aromat

250 ualize the geometrical structure, others the electron density or electron orbitals.

251 With decreasing electron density (or increasing interaction strength), t

252 on modes utilized are coupled excitations of electron density oscillations and substrate (SiO2) surfa

253 are rationalized by computations describing electron density patterns in the putative radical anion

254 nd electrical transport measurements) reveal electron density peaks at two symmetry-distinct intersti

255 Analysis of the XRR yields the electron density profile across the charged-interfaces a

256 This method provides the electron density profile of the samples directly from th

257 lamellar diffraction was used to deduce the electron density profiles of each phase.

258 each phase was quantified by fitting of the electron density profiles with a newly invented basic li

259 X-ray electron density reconstruction revealed increased mass/

260 polarization (repolarization) as a result of electron density redistribution.

261 DFT calculations identify electron-density redistribution and pinpoint why the TS

262 The overall structure consisted of a high electron density region, composed of the outer and inner

263 d-formation processes and the intramolecular electron density reorganization.

264 QTAIM analysis of the electron density reveals charge transfer from Sr to the

265 s consistent with a small but non-negligible electron-density sharing between the C and Li atoms of t

266 tudy demonstrates that a routine practice of electron density sharpening may have a broad impact on t

267 ce dipole moments for these states show that electron density shifts toward the xylene ring for both

268 onally optimized platinum catalyst with high electron density, simply regulated by dark/light conditi

269 For example, surfaces with substantial electron density spill-out give rise to electric fields

270 his process is facilitated by the release of electron density stored in the pi-system of the NDI liga

271 The variations in volume fractions and electron densities suggest that these fast forming prima

272 particles with a narrow range and consistent electron density, suggesting a tightly packed Gag lattic

273 y map (SDM) of odd electron character on the electron density surface, assuming that a new two-electr

274 ctive interaction between the H atom and the electron density surrounding the H-bond-acceptor atom.

275 ature, with many particles lacking organized electron densities that would correlate with a complete

276 mplete cores, and particles without distinct electron densities that would correlate with the capsid

277 trovirus-like particles with flat regions of electron density that did not follow viral membrane curv

278 ic excited state having a full separation of electron density, that is oxidized exTTF and reduced CNT

279 he electronic ground state having a shift of electron density, that is, from exTTFs to CNT, and in th

280 Photodoping allows electron densities to be tuned post-synthetically in ITO

281 this, we explicitly evaluate the response of electron density to a change in the system, at constant

282 d sigma-complexes because the alkane donates electron density to the metal from a sigma-symmetry carb

283 shell singlet transition state: iron donates electron density to weaken the C-N bond undergoing cleav

284 or the peptidic product, although decreasing electron density toward its C terminus indicated progres

285 4 of the substrate, which allows movement of electron density toward the central double bond and thus

286 s, increased vacuolation (tsp-2) and reduced electron density (tsp-3).

287 numerative real-space refinement assisted by electron density under Rosetta (ERRASER), coupled to Pyt

288 ally in a fully quantum potential created by electron density under the effect of strong laser pulse

289 e scattering arises from correlations in the electron density variations and therefore contains infor

290 These electron density variations determine the volume compone

291 However, electron density was missing for the p59 N-terminal doma

292 ispersion and using a model of intergalactic electron density, we place the source at a maximum redsh

293 From the electron density, we then calculated the electrostatic e

294 lar K(+) binding site (S1) is devoid of K(+) electron-density when wild-type CTX is bound, but K(+) d

295 e provides a handle for modulating porphyrin electron density, which affects cofactor redox potential

296 notonically increases in the entire range of electron densities, while the energy-averaged mass satur

297 calculations accurately reproduce changes in electron densities within nuclei in typical molecules, w

298 nformation about the effects of chemistry on electron densities within nuclei.

299 as a function of T, pi delocalization of the electron density within R, and the order within the mole

300 harge transfer character involves a shift of electron density within the polyene chain, and it does n