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

3 Quadrupolar absorption isolates states of different symm

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

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

6 The quadrupolar and chemical shift anisotropy tensors have b

7 17.6-35.2 T/750-1500 MHz for (1)H) the (17)O quadrupolar and chemical shift parameters were determine

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

35 evolution induced by a nonvanishing average quadrupolar coupling.

36 nd indicate an apparently undetectably small quadrupolar coupling.

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

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

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

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

41 Nuclear quadrupolar couplings are sensitive probes of hydrogen b

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

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

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

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

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

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

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

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

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

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

52 ort site, resulting in incompletely averaged quadrupolar couplings.

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

95 Most symmetric quadrupolar molecules designed for two-photon absorption

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

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

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

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

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

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

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

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

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

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

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

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

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

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

110 resolution NMR spectroscopy for half-integer quadrupolar nuclei.

111 local structural information of half-integer quadrupolar nuclei.

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

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

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

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

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

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

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

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

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

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

122 substitution patterns, with emphasis on the quadrupolar pattern.

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

124 approaches an ideal three-dimensional axial quadrupolar potential.

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

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

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

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

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

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

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

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

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

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

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

136 Quadrupolar splitting at the interface arises from strai

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

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

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

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

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

142 2H order parameters were calculated from the quadrupolar splitting of the de-Paked 2H NMR spectra.

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

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

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

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

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

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

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

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

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

152 56 samples revealed broad Pake patterns with quadrupolar splittings of 16.9 kHz and 13.3 kHz, respect

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

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

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

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

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

158 the basis of the measurements of individual quadrupolar splittings.

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

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

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

162 adaptive procedure under both monopolar and quadrupolar stimulation.

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

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

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

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

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

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

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

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