ライフサイエンスコーパス: ring current

1 confirming the presence of a strong aromatic ring current.

2 stness of the classical benzene diatropic pi ring current.

3 e cyclobutadieno clamps disrupts the benzene ring current.

4 shifts with the magnitude of the engineered ring current.

5 igate the long-term variations of the global ring current.

6 ion with a significantly increased diatropic ring current.

7 rating a near-circular current, known as the ring current.

8 accounting for orbital contributions to the ring current.

9 a strong, albeit slightly reduced, diatropic ring current.

10 the presence of a more substantial diatropic ring current.

11 eld, and this also showed a strong diatropic ring current.

12 eared to possess a slightly larger diatropic ring current.

13 rotropiporphyrin that also showed a stronger ring current.

14 hey nevertheless retain powerful macrocyclic ring currents.

15 gnetism, which is aromaticity, via superatom ring currents.

16 nanorings provide strong evidence for global ring currents.

17 ssess significant 14pai electron diamagnetic ring currents.

18 late, confirming that they arise from global ring currents.

19 ese exhibited significantly reduced aromatic ring currents.

20 d oxidized form display residual macrocyclic ring currents.

21 eroxide oxidation ensued yielded bell-shaped ring currents.

22 r magnetic behaviour associated with induced ring currents.

23 showed the presence of enhanced diamagnetic ring currents.

24 ects can be characterized by the reversal of ring currents.

25 was further supported by the NICS(1)(zz) and ring-current (ACID) calculations.

26 turn, the magnetic field generated by these ring currents affects the chemical shift of carbons on t

27 Anisotropy of induced ring current (AICD) plots clearly shows the presence of

28 pocket residues, 4 Phe, 4 Tyr, and 2 upfield ring current aliphatic side chains.

29 quires very high energy and has a paratropic ring current and antiaromatic character.

30 t al. and Huckel-London-Pople-McWeeny (HLPM) ring currents and bond currents that are presented here.

31 uce the experimental trends of the diatropic ring currents and filled in the data for the regioisomer

32 ipsocentric calculation to support diatropic ring currents and hence to be aromatic on the basis of m

33 hese derivatives retained strong diamagnetic ring currents and the presence of the internal alkyl sub

34 readily rationalized by analysis of aromatic ring-currents and provide sensitive probes for sites of

35 ted that the system has a strong diamagnetic ring current, and the external meso-protons showed up do

36 onfirms the presence of a strong diamagnetic ring current, and the meso-protons show up at 10 ppm, wh

37 ntracted porphyrinoids also exhibit aromatic ring currents, and the internal CH resonances shifted up

38 tionic species with slightly larger aromatic ring currents, and under strongly acidic conditions, C-p

39 Magnetically induced ring currents are a conventional tool for the characteri

40 states by (19)F NMR, demonstrating that the ring currents are global and homogeneous.

41 pai-system be and still exhibit an aromatic ring current around its circumference?

42 currents of its components.The discovery of ring currents around a molecule with a circumference of

43 + 2] or [4n] electrons, respectively-exhibit ring currents around their perimeters.

44 These results highlight ring currents as being critically important to the deter

45 amework S(2)N(4)(CH)(2) supports a diatropic ring current, as does its analogue in which N and CH gro

46 most of the porphyrinic macrocycle aromatic ring current, as seen in their (1)H NMR spectra and mode

47 Their diatropic ring currents, as assessed by (1)H NMR spectroscopy, sho

48 ion to determine whether they sustain global ring currents associated with pai aromaticity.

49 ry layer at magnetopause inbound and partial ring current at dawn close to the planet.

50 Our analysis also offers a preview of the ring current at other giant planets, such as Jupiter, wh

51 Here we report images of the ring current at Saturn, together with a day-night pressu

52 The ring current branches at the pyrrolic rings taking both

53 sent the observational evidence of Mercury's ring current by analysing particle measurements from MEr

54 ent drift that leads to the formation of the ring current by ions in the several tens of kiloelectron

55 logues showed no indication of a diamagnetic ring current by proton NMR spectroscopy, but addition of

56 the sensitivity of (19)F chemical shifts to ring currents by designing labels with direct contact to

57 These systems also showed large diatropic ring currents by proton NMR spectroscopy that were compa

58 gues of the porphyrins show strong diatropic ring currents by proton NMR spectroscopy where the inter

59 Ring current calculations based on a homology model for

60 Ring current calculations based on homology models or cr

61 The ring current can be highly variable with strong longitud

62 This work demonstrates that a global ring current can be promoted in a macrocycle by adjustin

63 Ring currents can exert a large effect upon the chemical

64 ndicates the presence of a strong paratropic ring current, characteristic of an antiaromatic compound

65 ne-fused annulenes shows further evidence of ring current competition as these allow for observation

66 further supported by HOMA, NICS(1)(zz), and ring-current computations.

67 For the second series a ring current contribution to the shielding tensor was ca

68 resonances which can be accounted for by the ring current contributions of the deoxyguanosinyl and py

69 analytical expressions are used to calculate ring current contributions to the CSA (Deltasigma) of 1H

70 A sign change in the ring current, corresponding to a reversal of aromaticity

71 ronger than that of benzene according to the ring-current criterion.

72 an interpretation supported by the diatropic ring current determined by NICS(ZZ)(r) computations, whi

73 The NMR data reveal these ring currents directly, without needing analysis by dens

74 Carbasapphyrins retain a strong diatropic ring current due to the presence of 22pi electron deloca

75 ace for many decades, the enhancement of the ring current during geomagnetic storms is still not well

76 r-containing ligands due to the porphyrin pi-ring current effect, which is also present in the di- an

77 due to the strong distance dependence of the ring current effect.

78 agreement with a commonly used model of the ring-current effect as well as the overall interaction g

79 rturbation of POPC protons from the aromatic ring-current effect, as well as 1H NMR cross-relaxation

80 ndependent chemical shifts that quantify the ring current effects caused by neighboring molecules.

81 C turn, too distant to be ascribed solely to ring current effects from Phe75.

82 loop sugar on the Pu2 base and the different ring current effects of A or G in this position.

83 iffers by 1.26 ppm, indicative of pronounced ring current effects on the surface of this endohedral f

84 r hydrogen bonding interactions and aromatic ring current effects.

85 The ring current energy exceeds [Formula: see text] J during

86 to lead to structures that support diatropic ring currents: explicit ab initio calculation of magneti

87 A/MCAD complex is proposed to arise from the ring current field from the isoalloxazine portion of the

88 The ring currents flow diatropically in the stacked six-memb

89 lene with inactive NH bridges is not how the ring-current flows around the macroring.

90 , neutral aromatic molecule with a diatropic ring current following the sigma-bond path formed by Si

91 While the ring current has been measured on the ground and space f

92 external protons indicates that the aromatic ring current has been significantly reduced.

93 on theory reveals a significant paramagnetic ring current in 1, a feature that helps explain the (1)H

94 luding evidence for a diatropic ("aromatic") ring current in 3,3-difluorocyclohexadienyl anion.

95 More generally, the hyperconjugative ring current in a family of C(2v) planar-constrained geo

96 the ring (a 'diatropic' current), while the ring current in an antiaromatic molecule flows in the re

97 The direction of the ring current in an aromatic molecule is such as to gener

98 exhibited the presence of a strong diatropic ring current in benzo-benzisapphyrins, and the macrocycl

99 rum showed that it has a reduced diamagnetic ring current in comparison to other carbaporphyrins.

100 contributions arising from an aromatic-like ring current in cyclopropane, involving six electrons in

101 s reveal the presence of a global paratropic ring current in its 4+ and 8+ oxidation states and of a

102 d that the peak location of the suprathermal ring current in local time oscillates between post-midni

103 is still a lack of observational evidence of ring current in Mercury's magnetosphere, which has a sig

104 for conventional pi-ring currents, the sigma-ring current in tangential p-p bonded systems is dominat

105 Appreciable ring current in the 1,2-phosphaborine core, detected in

106 The paratropic ring current in the 4+ oxidation state is about four tim

107 s were used to probe the distribution of the ring current in the 4+, 6+, and 8+ oxidation states by (

108 + oxidation states and of a global diatropic ring current in the 6+ state of the partially fused ring

109 quires much more energy and has a paratropic ring current in the TS pointing to antiaromatic, cyclope

110 ne), both of which exhibit a weak paratropic ring current in their 1H NMR spectra and are oxygen sens

111 he introduction contains the fundamentals of ring currents in aromatic and antiaromatic systems, foll

112 are typically dominated by strong paratropic ring currents in four-membered rings.

113 The relationship between ring currents in molecular and non-molecular rings is po

114 ings provides a motivation for investigating ring currents in molecules of an intermediate size.

115 We propose that ring currents in organic semiconductors, which commonly

116 cular interactions with the amplification of ring currents in stacked aggregates.

117 cating weak global aromatic and antiaromatic ring currents in the 10+ and 12+ oxidation states, which

118 The molecules show local ring currents in the presence of an external magnetic fi

119 does not compromise their ability to exhibit ring currents in the presence of an external magnetic fi

120 The experimental results show that the ring currents in this 18-porphyrin ring are weaker than

121 trongly elucidating sustained weak diatropic ring currents in twisted macrocycles both in neutral for

122 shifts in cyclopentadienes have a diatropic ring current indicating aromatic, cyclopentadienide anio

123 It was found that the porphyrin ring-current induced (1)H chemical shifts and molecular

124 culations of the effect of the cyt b(5) heme ring current-induced magnetic dipole on cyt c were used

125 ence of CH...pi interaction is provided from ring current-induced upfield displacement of Pro(1) C(al

126 emical shifts for paramagnetic and porphyrin ring current influences in the paramagnetic substrate co

127 The ring current is bifurcated because of the dayside off-eq

128 cate that the modulation of the suprathermal ring current is closely related to the solar cycle.

129 only saturated clamps are used, the benzene ring current is essentially unchanged.

130 rins are 19-24 nA/T depending on whether the ring current is forced to pass an NH unit or not.

131 This decrease in annulenic ring current is manifested in the alkene proton chemical

132 Whenever a ring current is observed, its direction is correctly pre

133 Ring-current magnetic shielding of polyimide protons by

134 matic, with enhanced stability and diatropic ring currents (magnetic shielding inside the ring), wher

135 n gradually decreases the magnitude of their ring currents, making them less aromatic and less antiar

136 The ipsocentric ring-current mapping approach is used to evaluate aromat

137 These observations are consistent with ring currents measured in NMR spectroscopy and simulated

138 Here, we show that existing ring current models systematically overestimate electron

139 nic waves which is currently not included in ring current models.

140 hanges lead to modulation of the strength of ring currents near the site of addition and, in turn, th

141 l validation of a data-assimilative electron ring current nowcast during a geomagnetic storm.

142 The largest ring currents occur when the porphyrin units have fracti

143 The porphins have the strongest ring current of ca. 27 nA/T among the investigated porph

144 lternation, induces a sudden reversal in the ring current of cyclo[16]carbon, C(16).

145 to intrude into the pi-cloud and diamagnetic ring current of the neighboring acridine.

146 Ring currents of a different nature were observed at Jup

147 ng its oxidation state to suppress the local ring currents of its components.The discovery of ring cu

148 he design of confined ultrafast switching of ring currents of nonplanar molecules and further current

149 While in NMR spectroscopy the effects of ring currents on the chemical shifts of nearby protons a

150 ized ring currents, with stronger paratropic ring currents on the pentalene moieties.

151 The attendant ring current perturbations expected from such modulation

152 hich corotates with the planet, from the hot ring current/plasma sheet outside.

153 NICS) calculations and anisotropy of induced ring current plots.

154 t a nearly 11-year cycle of the suprathermal ring current populations in Saturn's magnetosphere.

155 pect to the fundamental orbital symmetry and ring-current rules, Si bonds at greater internuclear dis

156 ifts at the lesion site were consistent with ring current shielding arising from the BA moiety.

157 the monomer 1,N(2)-epsilondG, attributed to ring current shielding, consistent with their intrahelic

158 e linear correlations that exist between the ring-current shielding shifts for the axial ligand C(1)

159 , as indicated by NOEs and the large upfield ring current shift (approximately 4 ppm) of A37 HN.

160 of Trp25 from solvent exposure and produces ring current shifts as large as 3 ppm.

161 f the NH pairs, such as hydrogen bonding and ring current shifts, and are observed for residues in th

162 lly unfavorable in solution, with a peculiar ring current stabilizing the aromatic character of the n

163 e-containing 4 showed the weakest paratropic ring-current strength for the s-indacene unit, while 1-3

164 The modulation of the paratropic ring-current strength of s-indacene for 1-4 was further

165 enes are known for their enhanced paratropic ring-current strength.

166 The ring-current strengths of the porphins, chlorins, and ba

167 uantities with easily computed Huckel-London ring currents suggests a simply calculated measure for d

168 S(pizz) for each isomer is correlated to the ring-current sum SigmaJ extracted from CDA.

169 The diatropic ring current that characterizes the unexpectedly aromati

170 the dianion of 4 reveal a distinct diatropic ring current that should aid in its characterization.

171 lectric current around a planet known as the ring current, that has been observed in the intrinsic ma

172 9(+) (1), which supports a pinched diatropic ring current, the C(2v) transition state (2) for inversi

173 ontrol the enhancement and decay rate of the ring current, the main cause of the geomagnetic field pe

174 As for conventional pi-ring currents, the sigma-ring current in tangential p-p

175 Further investigations on magnetic ring currents through NICS-XY-scans suggest a global par

176 a reasonable estimate of the contribution of ring currents to the full shielding tensor a series of d

177 ion is developed so that the contribution of ring currents to the full shielding tensor can be calcul

178 nd Bovey only quantifies the contribution of ring currents to the isotropic component of the shieldin

179 ed, allowing an estimate of the influence of ring currents upon the chemical shielding anisotropy (CS

180 changes associated with the styrene aromatic ring current were noted for S-SOA6 H2 and H1', T16 N3H,

181 ed by the ability of a molecule to sustain a ring current when placed in a magnetic field.

182 lder adduct 17 showed an increased diatropic ring current where the internal proton shifted beyond -9

183 affords dications with enhanced diamagnetic ring currents where the internal CH shifts to ca. -3 ppm

184 This contrasts with the Earth's ring current, where there is no rotational modulation an

185 r 110 pai-electrons, display global aromatic ring currents, whereas even-numbered belts, with 80, 100

186 fect on an aromatic molecule is the aromatic ring current, which can be thought of as an induction of

187 The flavin ring current, which is only present when the enzyme is p

188 ctric current around the planet known as the ring current, which regulates the field configuration of

189 evices because the pi electrons can generate ring currents with a variety of directions.

190 for these compounds showed strong diatropic ring currents with the internal CH resonance upfield abo

191 tral naphthalene ring, showed more localized ring currents, with stronger paratropic ring currents on