ライフサイエンスコーパス: quadrupolar

1 xperimental relationship, between the methyl quadrupolar, (13)C-(13)C and (13)C-(1)H dipolar coupling

2 Here, hyperpolarization of quadrupolar (14)N nuclei with natural isotopic abundance

3 1) in nonpolar solvents, it is symmetric and quadrupolar; (2) in weakly polar media, the quadrupolar

4 In dipolar(6,8), quadrupolar(8-12) and hexadecapolar(13) nematic colloids

5 Quadrupolar absorption isolates states of different symm

6 rimental restraint on the values of the (2)H quadrupolar and (13)C-(1)H dipolar interactions and grea

7 hese hexametalate solids via the anisotropic quadrupolar and chemical shielding interactions.

8 The quadrupolar and chemical shift anisotropy tensors have b

9 17.6-35.2 T/750-1500 MHz for (1)H) the (17)O quadrupolar and chemical shift parameters were determine

10 e in these Keggin ions via their anisotropic quadrupolar and chemical-shielding interactions.

11 Here we exploit the presence of sizable quadrupolar and dipolar contributions in the uranium L3-

12 ometry of the methyl group, the sizes of the quadrupolar and dipolar couplings, and the effects of bo

13 We capture the strain evolution of its quadrupolar and magnetic phase transitions using both si

14 We discuss the implications of cooperative quadrupolar and multipolar states for the design of rela

15 king affects the photochemical reactivity of quadrupolar and octupolar A-(pai-D)(2,3) molecules with

16 PrTr(2)Al(20) (Tr = Ti, V), which possesses quadrupolar and octupolar but no magnetic dipolar moment

17 ections is effected by the outer companion's quadrupolar and octupolar potentials.

18 ce and discuss it in the context of dipolar, quadrupolar, and higher order potential contributions th

19 Surprisingly, the quadrupolar anisotropy tensors do not depend to any sign

20 rupolar Hamiltonian provides C(Q) values and quadrupolar asymmetry parameters, thereby overcoming var

21 , the other reference frame is the principal quadrupolar axes calculated with respect to the molecula

22 of radio frequency fields characteristic of quadrupolar axialization or rf-only mode operation.

23 (SORI) collision-induced dissociation (CID), quadrupolar axialization, multiple stages of isolation a

24 at 40 T is nearly free from the second-order quadrupolar broadening and can be interpreted quantitati

25 ult to apply this technique because of large quadrupolar broadenings.

26 culations that demonstrate how this leads to quadrupolar capillary interactions between the particles

27 onate (with DFS (double field sweep), QCPMG (quadrupolar Carr-Purcell-Meiboom-Gill), and WURST (wideb

28 calculations revealed the conversion of the quadrupolar charge transfer states to bipolar charge-sep

29 nerated on DFT-optimized structures revealed quadrupolar charge transfer states, more so in polar med

30 ons, thanks to (17)O wide chemical shift and quadrupolar constant ranges.

31 Well known for their inherently large quadrupolar constants, which is detrimental to the resol

32 Here, we unveil a hidden quadrupolar constituent of the spin dynamics in antiferr

33 lation between the size of the (27)Al/(71)Ga quadrupolar coupling and the distortion of the doping si

34 kHz from T2e experiments) and the effective quadrupolar coupling constant (38.8-39.8 kHz from analys

35 is a quadrupolar nucleus (I = 1) and that a quadrupolar coupling constant (C(Q)) depends on the dist

36 The observed quadrupolar coupling constant C(Q) of 10.5 +/- 1.5 MHz a

37 ty of the NMR signatures (chemical shift and quadrupolar coupling constant) to small local structural

38 eltaCS) and quadrupolar coupling parameters (quadrupolar coupling constant, QCC, and asymmetry parame

39 R measurements yield an average value of the quadrupolar coupling constant, QCC, for D(alpha) sites i

40 A large quadrupolar coupling constant, the measure of the local

41 f 0.98 and an RMSE of 0.61 MHz for C(Q), the quadrupolar coupling constant.

42 nter, featuring both high chemical shift and quadrupolar coupling constants (162 ppm and 27.4 MHz, re

43 scopy is applied to characterize the nuclear quadrupolar coupling constants (C(Q)) and asymmetry para

44 halogen bond (XB) donors is hopeless due to quadrupolar coupling constants (C(Q)) on the order of GH

45 By measuring and analyzing the changes in quadrupolar coupling constants (C(Q)) that reflect elect

46 Experimental quadrupolar coupling constants of alpha deuterons (D(alp

47 is associated with a distribution of larger quadrupolar coupling constants, indicating an asymmetric

48 deshielded (95)Mo chemical shifts and small quadrupolar coupling constants, respectively.

49 er that the 3.8-5.0 A range obtained without quadrupolar coupling included in the simulation represen

50 e 17O isotropic chemical shift (deltaCS) and quadrupolar coupling parameters (quadrupolar coupling co

51 otropic chemical shifts and nuclear electric quadrupolar coupling parameters turn out to be extremely

52 ance from the Co(II) ion, and resolved (11)B quadrupolar coupling showed approximately 30% electronic

53 onents of the hyperfine coupling and nuclear quadrupolar coupling tensors of the hydrogen-bonded prot

54 ctions between the nuclei and by the nuclear quadrupolar coupling to inhomogeneous crystal strain.

55 leads at a mean-field level to the expected quadrupolar coupling, but also for certain structures to

56 evolution induced by a nonvanishing average quadrupolar coupling.

57 nd indicate an apparently undetectably small quadrupolar coupling.

58 the relative orientation between the CSA and quadrupolar-coupling tensors.

59 H NMR enables direct measurement of residual quadrupolar couplings (RQCs) due to individual C-(2)H-la

60 sidual dipolar couplings (RDCs) and residual quadrupolar couplings (RQCs) for various molecules rangi

61 ation is manifested as near rigid-limit (2)H quadrupolar couplings and (13)C-(1)H, (15)N-(1)H, and (1

62 At < or =50 mol % C(20)BAS, smaller quadrupolar couplings appear in the spectra, indicating

63 Nuclear quadrupolar couplings are sensitive probes of hydrogen b

64 erical simulations show that moderate (87)Sr quadrupolar couplings decrease the envelope modulation r

65 /POPG membrane, the peptides caused distinct quadrupolar couplings for the two lipids, indicating dom

66 xed POPE/POPG membranes should give the same quadrupolar couplings for the two lipids, whereas the pr

67 Unfortunately, the presence of strong quadrupolar couplings has severely limited the ability t

68 The set of lowest quadrupolar couplings in all data sets corresponds to th

69 ectra of (127)I and (79)Br nuclei subject to quadrupolar couplings of up to 2.3 GHz in solid powders.

70 of the two lipids should cause distinct (2)H quadrupolar couplings that reflect different chain disor

71 (2)H quadrupolar couplings were measured to determine the mot

72 btained, allowing isotropic chemical shifts, quadrupolar couplings, and asymmetric parameters to be e

73 the membrane normal is characterized via 2H quadrupolar couplings, C-H and N-H dipolar couplings, 13

74 -bond lengths were obtained from the nuclear quadrupolar couplings.

75 ort site, resulting in incompletely averaged quadrupolar couplings.

76 phases based on the strength of their (43)Ca quadrupolar couplings.

77 h breadths of 8-50 MHz, revealing very large quadrupolar couplings.

78 planarity of the pyrone moiety leading to a quadrupolar D-n-A-n-D system.

79 These quadrupolar defect clusters, stabilized by the medium's

80 e prominent for the trisubstituted, Y-shaped quadrupolar derivative than that observed for the linear

81 r two-qubit gates) could benefit from such a quadrupolar design.

82 We discuss the advantages of quadrupolar detection in 2D MS and how we adapted existi

83 dy, we perform 2D MS for the first time with quadrupolar detection in a dynamically harmonized ICR ce

84 We apply 2D MS with quadrupolar detection to the top-down analysis of covale

85 nematic LC 4-cyano-4'-pentylbiphenyl create quadrupolar distortions in the director field causing pa

86 r line width in most of the studied cases is quadrupolar dominated and field-strength independent.

87 Here we investigate a prototypical quadrupolar dye in polar and non-polar solvents using ul

88 Quadrupolar dyes, such as acceptor-donor-acceptor molecu

89 solvate was obtained by variable-temperature quadrupolar echo (2)H NMR data acquired with samples pre

90 Rotational dynamics measured by quadrupolar echo (2)H NMR line shape analysis were analy

91 This conclusion was confirmed by the quadrupolar echo (2)H NMR line-shape analysis of a deute

92 Line shape analysis of quadrupolar echo (2)H NMR measurements in selected examp

93 n the solid state using variable temperature quadrupolar echo (2)H NMR spectroscopy.

94 Variable temperature, quadrupolar echo (2)H NMR studies have shown that phenyl

95 ed by variable-temperature 13C CPMAS NMR and quadrupolar echo 2H NMR line-shape analysis: 12.8 kcal/m

96 he main techniques employed are deuteron NMR quadrupolar echo line shape analysis, and T(1Z) (Zeeman)

97 ction, variable-temperature (13)C CPMAS NMR, quadrupolar echo solid-state (2)H NMR, and thermal analy

98 Quadrupolar-echo (2)H NMR experiments with (2)H-labeled

99 unusual anion coordination that exploits the quadrupolar edges of conserved phenylalanine rings.

100 Our findings demonstrate that quadrupolar effects can potentially be used to engineer

101 ass of strained nanostructures where nuclear quadrupolar effects have a significant but largely unkno

102 While this structure hosts both dipolar and quadrupolar electric and magnetic delocalized modes, onl

103 evidence to support continued invocation of quadrupolar electrostatics as a basis for pai-stacking.

104 At typical pai-stacking distances, quadrupolar electrostatics may differ in sign from an ex

105 re continually removed by the application of quadrupolar excitation in the form of band-limited or "c

106 hat upon the absorption of a single photon a quadrupolar excited state is formed via a simultaneous a

107 This quadrupolar exciton stems from the hybridization of WSe(

108 Here we demonstrate a new excitonic state, quadrupolar exciton, in a symmetric WSe(2)-WS(2)-WSe(2)

109 The quadrupolar excitons exhibit a quadratic dependence on t

110 tric field, accompanying the transition from quadrupolar excitons to dipolar excitons.

111 ver the head (often with striking dipolar or quadrupolar forms), while crude source modeling yielded

112 ange in the electric field gradient (nuclear quadrupolar frequency) or in the distribution of it, thu

113 aromatic rings cannot be treated as a simple quadrupolar functional group at van der Waals' distance.

114 g TIMS analyzer utilizes a convex electrode, quadrupolar geometry with increased pseudopotential pene

115 pectra using a diagonalization of the Zeeman-quadrupolar Hamiltonian provides C(Q) values and quadrup

116 f polyimide films on planar surfaces to give quadrupolar in-plane anisotropy also induces macroscopic

117 pecific high-resolution spectra to yield the quadrupolar interaction parameters but also the CSA or H

118 only anisotropic interaction; the deuterium quadrupolar interaction was apparently averaged due to a

119 lar magnitude (chemical shift anisotropy and quadrupolar interaction), and the full interpretation of

120 spective, we provide a brief overview of the quadrupolar interaction, describe some of the basic expe

121 amma-methylene in mimicry of phenylalanine's quadrupolar interaction.

122 otropy of (31)P chemical shielding and (14)N quadrupolar interactions and by the MD simulation.

123 The solvent structuring is driven by quadrupolar interactions and consists of stacks of alter

124 s of solid-state NMR by unifying dipolar and quadrupolar interactions and highlights the unique featu

125 Enhancement of pi-stacking by quadrupolar interactions did not appear to play a signif

126 ar spin of 83Kr atoms (I = 9/2) is driven by quadrupolar interactions during brief adsorption periods

127 ely challenging due to the exceedingly large quadrupolar interactions in MOFs.

128 e values, we demonstrate that strain-induced quadrupolar interactions make nuclear spin fluctuations

129 Quadrupolar interactions of 27Al nuclei, highly sensitiv

130 DFT calculations of (43)Ca and (87)Sr quadrupolar interactions on Ca (and Sr substituted) bind

131 t first, this appears surprising because the quadrupolar interactions present in nuclei with spin > 1

132 ation of (131)Xe (S = (3)/(2)) is subject to quadrupolar interactions which may lead to higher rank s

133 is based on 15N and 13C chemical shifts, 2H quadrupolar interactions, and 15N-2H dipolar interaction

134 r NMR spectra are dominated by hyperfine and quadrupolar interactions, giving rise to broad resonance

135 characterized by strong C(6)F(4)...C(6)H(5) quadrupolar interactions.

136 rated an intensity increase of up to 400% in quadrupolar interlayer exciton (IX) emission as compared

137 ssociation capabilities in a commercial Paul quadrupolar ion trap multistage mass spectrometer (TIMS-

138 ines that directly coordinate F(-) through a quadrupolar-ion interaction cannot be functionally subst

139 The quadrupolar isolation windows used to segment the MS1 sc

140 eering, and many systems comprising strongly quadrupolar isotopes.

141 e-particle spacing enabled either dipolar or quadrupolar lattice modes to be selectively accessed and

142 (2)H quadrupolar line shapes deliver rich information about p

143 wer through the fiber and into the dual cell quadrupolar linear ion trap.

144 We focus in particular on the quadrupolar localized plasmon resonance of silver nanosp

145 Our results demonstrate that pure quadrupolar magnetic excitations can be probed without d

146 from on-site double spin-flip processes, the quadrupolar magnetic excitations in Y(2)BaNiO(5) show a

147 delocalized modes, only dipolar electric and quadrupolar magnetic modes remain at normal incidence.

148 cting entities, the other behaves as a bound quadrupolar magnetic wave.

149 These nominally quadrupolar materials exhibit efficient fluorescence wit

150 lenging for many ions that relax through the quadrupolar mechanism, which is mediated by electric fie

151 strate-mediated hybridization of dipolar and quadrupolar modes predicted by theory, simulations, and

152 ces the coupling with the core breathing and quadrupolar modes.

153 platform for emergent quantum states, where quadrupolar moire trion emission may enable coherent and

154 This structure hosts fermionic quadrupolar moire trions-interlayer excitons bound to an

155 Here, excited-state symmetry breaking in a quadrupolar molecule with a D-pi-A-pi-D motif, where D a

156 Most symmetric quadrupolar molecules designed for two-photon absorption

157 d its pi electronic structure and associated quadrupolar moment (aromaticity) that favor residing in

158 d it is shown that descriptors involving the quadrupolar moments and related quantities are required

159 the first time that molecular electrostatic quadrupolar moments have been utilized in a 3D-QSAR anal

160 e to its extremely low natural abundance and quadrupolar nature, the (17)O nuclide is very rarely use

161 We demonstrate that quadrupolar nuclear relaxation is sensitive to subpicose

162 ster using the nanoscale ensemble of arsenic quadrupolar nuclear spins as its hardware.

163 ltrahigh-field (21.14 T) NMR spectroscopy of quadrupolar nuclei ((115)In, (133)Cs, and (209)Bi), we s

164 NMR spectra of quadrupolar nuclei (I > (1)/2) are often perceived as be

165 Due to the prevalence of quadrupolar nuclei among transition metals, this work al

166 a new avenue for the application of SSNMR to quadrupolar nuclei and notably the atomic-scale structur

167 principles calculations to facilitate NMR of quadrupolar nuclei as a tool to probe the local structur

168 These results show that high-spin quadrupolar nuclei could be deployed as chaotic models,

169 scopic approach to study the coordination of quadrupolar nuclei in biological systems.

170 lly informative J couplings between pairs of quadrupolar nuclei in dimetallic and dimetalloid coordin

171 allenging new applications of NMR spectra of quadrupolar nuclei in the fields of energy materials, mi

172 mited the application of NMR spectroscopy of quadrupolar nuclei in the solid state.

173 ross-polarization and dipolar recoupling for quadrupolar nuclei is completely negated using this tech

174 he acquisition of solid-state NMR spectra of quadrupolar nuclei obtained at very high magnetic fields

175 ion of spin-1/2 nuclei, hyperpolarization of quadrupolar nuclei remains challenging.

176 nes zero-field J-spectra from molecules with quadrupolar nuclei, exemplified by solutions of various

177 (and additional parameters, CQ and eta, for quadrupolar nuclei, I > (1)/2) to 2D correlations, to an

178 xperiments with symmetric cations containing quadrupolar nuclei, promising applications in biomedicin

179 he crystal structure of compounds containing quadrupolar nuclei, such as (27)Al, can be improved by d

180 resolution NMR spectroscopy for half-integer quadrupolar nuclei.

181 local structural information of half-integer quadrupolar nuclei.

182 ctures of heterogeneous catalysts containing quadrupolar nuclei.

183 sidering that the deuterium isotope (D) is a quadrupolar nucleus (I = 1) and that a quadrupolar coupl

184 electron charge distribution surrounding the quadrupolar nucleus enables the unique characterization

185 asis of hyperfine (Fermi contact) shifts and quadrupolar nutation behavior, aided by results from per

186 ei as a function of their chemical shifts or quadrupolar offsets.

187 relaxation experiments, dominated by either quadrupolar or dipolar interactions, yield highly consis

188 e of a meta-atom, resulting in e.g. dipolar, quadrupolar, or multipolar emission on demand.

189 This suggests an intimate link between the quadrupolar order parameter and SC pairing, providing in

190 The quadrupolar order persists in the antiferromagnetic phas

191 hape analysis, and T(1Z) (Zeeman) and T(1Q) (quadrupolar order) relaxation experiments performed at 1

192 Additionally, within the staggered quadrupolar order, the observed elastocaloric response r

193 Longitudinal, transverse in-phase, quadrupolar order, transverse anti-phase and double quan

194 ecular orientation (multipolar) and orbital (quadrupolar) order in the perovskite-like metal-organic

195 2)H NMR relaxation (spin-lattice, T(1Z), and quadrupolar-order, T(1Q)) experiments in the dark, Meta

196 o a thermally forbidden spin-orbit entangled quadrupolar ordered state in Ca(2)RuO(4) by coherently e

197 between the halogen bond environment and the quadrupolar parameters is elucidated through a natural l

198 Motional-averaged (2)H quadrupolar parameters obtained from the line-shape fitt

199 ences an increased chemical shift and unique quadrupolar parameters relative to the BAS in both dehyd

200 The sensitivity of quadrupolar parameters to the solid-state chemical envir

201 substitution patterns, with emphasis on the quadrupolar pattern.

202 The poly-His quadrupolar peaks are detectable only when the polymer i

203 His), whose imidazole groups generate (14) N-quadrupolar-peaks that cause a relaxation enhancement of

204 His), whose imidazole groups generate (14) N-quadrupolar-peaks that cause a relaxation enhancement of

205 accurate calculations, which reveal that the quadrupolar picture is qualitatively wrong.

206 s analyzer, the planar Paul trap, in which a quadrupolar potential distribution is made between two e

207 approaches an ideal three-dimensional axial quadrupolar potential.

208 On the basis of distinct quadrupolar powder patterns arising from [3 alpha-(2)H(1

209 nd the induced electric dipolar and magnetic quadrupolar radiation from the two dielectric antenna el

210 egion, and mass-selectively ejected from the quadrupolar region to a detector.

211 region, transferred from the toroidal to the quadrupolar region, and mass-selectively ejected from th

212 the way to the quantitative understanding of quadrupolar relaxation in electrolyte and bioelectrolyte

213 te conditions, the measurement of changes in quadrupolar relaxation times is a reliable means of dete

214 e the immense practical potential of nuclear quadrupolar resonance (NQR) spectroscopy for characteriz

215 n attractive for magnetic field-free nuclear quadrupolar resonance (NQR) spectroscopy.

216 mode relative to single-particle dipolar or quadrupolar resonances.

217 c symmetry of the GaAs lattice, resulting in quadrupolar satellites for nuclear [Formula: see text] i

218 We use (2)H and (14)N quadrupolar solid-state NMR relaxometry under magic-angl

219 s are a critical factor in the adsorption of quadrupolar species such as CO(2) and N(2) in metal-orga

220 Using line-shape analysis of quadrupolar spin echo spectra we showed that solvents su

221 Quadrupolar spin-echo solid-state (2)H NMR spectroscopy,

222 how an almost baseline-resolved quintet from quadrupolar splitting ((55)Mn, I = 5/2, 100%), allowing

223 The deuterium ((2)H) quadrupolar splitting (DQS), one of the SSNMR observable

224 Quadrupolar splitting at the interface arises from strai

225 by measuring of the order parameters through quadrupolar splitting experiments.

226 The outer quadrupolar splitting for Trp(9) is unchanged with D-Phe

227 accompanied by a discontinuous change in the quadrupolar splitting of Fe(2+), as determined by Mossba

228 ar to those of temperature variations of the quadrupolar splitting of interbilayer D2O in PC and PE b

229 d PMMA gels were evaluated by monitoring the quadrupolar splitting of the (2)H NMR signal of CDCl(3),

230 2H order parameters were calculated from the quadrupolar splitting of the de-Paked 2H NMR spectra.

231 large changes in the methyl and C(beta)-(2)H quadrupolar splittings (Deltanu(q)) when Ala(5) in nativ

232 The (2)H quadrupolar splittings allow the conformation of the eth

233 ermine the topology of phylloseptin-1, where quadrupolar splittings close to the maximum impose the m

234 Quadrupolar splittings for D(2)O decay less rapidly with

235 ning our data with the previously determined quadrupolar splittings for deuterium labels on the palmi

236 In the C12:0 and C14:0 lipids, the (2)H-NMR quadrupolar splittings for the set of six core alanines

237 o reveal that two orientation-dependent (2)H quadrupolar splittings from methyl-deuterated alanines a

238 istinguished by the difference of their (2)H quadrupolar splittings in a chiral liquid crystal contai

239 ed an approach to directly convert the (14)N quadrupolar splittings into an average orientation of th

240 56 samples revealed broad Pake patterns with quadrupolar splittings of 16.9 kHz and 13.3 kHz, respect

241 Val-50 and Leu-62 showed Pake patterns, with quadrupolar splittings of 3.5 kHz and 3.7 kHz, respectiv

242 manifested by the significantly reduced (2)H quadrupolar splittings of perdeuterated palmitoyloleoylp

243 of the sample made with DPPC-d62 and of the quadrupolar splittings of the chain-methyl-labeled DPPC-

244 eptides, which yielded orientation-dependent quadrupolar splittings of the labels.

245 present a combined analysis of (2)H-alanine quadrupolar splittings together with (1)(5)N/(1)H dipola

246 the basis of the measurements of individual quadrupolar splittings.

247 d by (2)H line-shape simulations and reduced quadrupolar splittings.

248 electric field within the same states via a quadrupolar Stark effect.

249 quadrupolar; (2) in weakly polar media, the quadrupolar state observed directly after excitation tra

250 adaptive procedure under both monopolar and quadrupolar stimulation.

251 olygonal platelets exhibit either dipolar or quadrupolar symmetries, depending on whether their numbe

252 , A(iso) = -6.25 MHz, T = -0.94 MHz) and the quadrupolar tensor (e(2)Qq/h = -2.47 MHz, eta = 0.38) of

253 govern the magnitude and orientation of the quadrupolar tensor as the geometry about the anion is sy

254 NMR to measure dipolar, chemical shift, and quadrupolar tensors in aqueous solution.

255 The full anisotropic shift and quadrupolar tensors of linear BO(2) were extracted from

256 ion trap (CIT) within which an approximately quadrupolar, time-varying, field is established.

257 in the nuclear spin statistics from a spin-1 quadrupolar to a spin-1/2 dipolar system, evidencing the

258 ation voltages do not correspond to the most quadrupolar trapping field.

259 coaxial ion trap, in which both toroidal and quadrupolar trapping regions are created simultaneously.

260 iation of NMR parameters (both shielding and quadrupolar) with local structure, including changes in