ライフサイエンスコーパス: unpaired electron

1 ce if the quantum dot in the SET contains an unpaired electron.

2 protons at these positions interact with the unpaired electron.

3 e air- and moisture-stable and have only one unpaired electron.

4 in THF; they are high-spin species with four unpaired electrons.

5 )H(5))(2)Cr) are low-spin compounds with two unpaired electrons.

6 tion of a biradical with largely independent unpaired electrons.

7 ramagnetic susceptibility, despite having no unpaired electrons.

8 requires open-shell d(n) configurations with unpaired electrons.

9 to one metal centre with a limited number of unpaired electrons.

10 s lower in energy than triplet FeF2 with two unpaired electrons.

11 tes a weak ferromagnetic coupling of the two unpaired electrons.

12 enes is most affected by the presence of the unpaired electrons.

13 tal binding tag permitted the measurement of unpaired electron-amide proton distances using paramagne

14 idual dipolar couplings, dipolar shifts, and unpaired electron-amide proton distances.

15 s triangles confirm the selective sharing of unpaired electrons among adjacent redox-active NDI subun

16 ated that is dependent on the presence of an unpaired electron and donor ligands in the uranyl valenc

17 ong donor-acceptor stabilization between the unpaired electron and O-H sigma* orbitals on a nearby wa

18 te at higher applied potentials possesses an unpaired electron and therefore should be EPR-active; ho

19 B and NdB clusters are found to have similar unpaired electrons and magnetic moments as their isovale

20 RE), which is sensitive to distances between unpaired electrons and nuclei.

21 charge transfer (CT), which delocalizes the unpaired electrons and thus lowers the exchange stabiliz

22 nt with high-spin Co(2+) ions carrying three unpaired electrons and with an additional significant un

23 d by anisotropic hyperfine coupling between (unpaired) electron and nuclear spins.

24 ground state in which one ruthenium has two unpaired electrons antiparallel to those of the other ru

25 The location of unpaired electrons (approximately 40 unpaired electrons

26 ike typical biradicals and polyradicals, the unpaired electrons are all on the same center.

27 X-ray crystallography suggests that the unpaired electrons are delocalized in each case across t

28 The unpaired electrons are distributed almost evenly over th

29 c resonance data show unambiguously that the unpaired electrons are in metal-based molecular orbitals

30 Above 140 K, the unpaired electrons are localized in the nonsuperimposed

31 In the paramagnetic state, the unpaired electrons are located in the exterior phenaleny

32 tailed simulations, which indicated that the unpaired electrons are mostly located in the disordered

33 elected by spectral editing, showed that the unpaired electrons are not dangling bonds at the surface

34 ow 140 K is a singlet state in which the SBP unpaired electrons are partially localized in the superi

35 saturation (M(sat)) indicate that 60-80% of unpaired electrons are present at T = 1.8-5 K.

36 effectively like S-state atoms because their unpaired electrons are shielded by two outer filled elec

37 radical ions carrying Li+ charge(s) and one unpaired electron at an alpha-C atom of the peptide back

38 ne splitting between the C3 hydrogen and the unpaired electron at C2 shows the dihedral angle to be 6

39 y observed antiferromagnetic coupling of the unpaired electrons at the metal centers.

40 ctures of Fe(O) and Fe(OH) are such that the unpaired electrons at the two sites delocalize into orth

41 moments are consistent with approximately 4 unpaired electrons attributed to [MnSb4](9-), indicating

42 spin system consists of the strongly coupled unpaired electrons confined to (3*)PDI, which are each w

43 Pr(II) [eta(7) -B7(3-) ] complex with three unpaired electrons, corresponding to a Pr (4f(2) 6s(1) )

44 est formulated as a Ni(III) complex with one unpaired electron delocalized in the ligands surrounding

45 opening, disfavoring mechanisms that involve unpaired electron density at C3 of the indole ring.

46 Localized unpaired electron density causes the 4a" state to be the

47 Structural data and DFT calculations suggest unpaired electron density is strongly delocalized onto t

48 ENDOR was a direct probe of the unpaired electron density on the nitrogen of NO and, as

49 enerate and show extensive delocalization of unpaired electron density over spatially remote groups.

50 elds the anion radical (PhNCO(*-)) where the unpaired electron exhibits coupling to one nitrogen and

51 ybridized structures, and the possibility of unpaired electrons from defects induced upon hydrogenati

52 The dianion diradical has one unpaired electron in a primary and one in a secondary ri

53 rformed in this work shows that although the unpaired electron in low-spin ferrihemes containing a RO

54 ic resonance studies have indicated that the unpaired electron in P700+ is delocalized asymmetrically

55 The spin density distribution of the unpaired electron in the cation radical state of the dim

56 The unpaired electron in the CiOi(+) state is mainly localiz

57 me origin and is due to detaching the single unpaired electron in the HOMO, mainly of Mo 4d character

58 tadeuterated AA (d(8)-AA) confirmed that the unpaired electron in the pentadienyl radical is delocali

59 AS-2SF) reveal the presence of less than one unpaired electron in the planar molecules.

60 The unpaired electron in this molecule is delocalized over t

61 ectronic structure changes so that from four unpaired electrons in 1 there is only one in 2.

62 rule is proposed to estimate the numbers of unpaired electrons in diatomic LnB clusters.

63 The consequence of unpaired electrons in organic molecules has fascinated a

64 arization is developed on species that carry unpaired electrons in the early electron transfer steps,

65 The existence of unpaired electrons in the four heme groups of deoxy and

66 t predict negligible interaction between the unpaired electrons in the high-spin triradical.

67 that the resonance stabilization of the two unpaired electrons in triplet O2, relative to the unpair

68 red electrons in triplet O2, relative to the unpaired electrons in two hydroxyl radicals, amounts to

69 for alkyloximes due to delocalization of the unpaired electron into the aromatic ring have always bee

70 pi-pi interaction of Tyr-24 and His-20, the unpaired electron is apparently delocalized on both the

71 SL), a nitroxide moiety containing a stable, unpaired electron is covalently attached to a specific s

72 DFT calculations show that the unpaired electron is delocalized in the low pH form and

73 als a paramagnetic intermediate in which the unpaired electron is delocalized over the heterocycle an

74 K(THF)(3)[V(2)(DPhF)(4)], indicates that the unpaired electron is delocalized over the two vanadium a

75 has a d(10) electronic configuration and the unpaired electron is delocalized over two carbene carbon

76 eory to the "separated"ion pair in which the unpaired electron is equally delocalized between both NO

77 isc-shaped hydrocarbon molecule in which the unpaired electron is extensively delocalized.

78 It has been speculated that the unpaired electron is in a pi delocalized porphyrin radic

79 adical monoanions Xn-Hex(*-) reveal that the unpaired electron is largely localized on a single PI un

80 e equator on the fullerene cage and that the unpaired electron is localized in a bonding orbital betw

81 pared with [2-13C]ethanolamine show that the unpaired electron is localized on C1 (the carbinol carbo

82 s the formation of radical species where the unpaired electron is localized on the organic moiety bou

83 The DFT studies suggest that the unpaired electron is localized primarily in a dinitrogen

84 tributions of the GC anion indicate that the unpaired electron is localized primarily on the cytosine

85 DFT calculations also indicated that the unpaired electron is mostly localized on the imide nitro

86 iphenyl isocyanurate anion radical where the unpaired electron is predominately localized in one of t

87 valence di-iron II/III species, in which the unpaired electron is shared equally between the two iron

88 and 4) are electronically localized and the unpaired electron is trapped on one [Mo(2)] unit.

89 itroxide probe containing a chemically inert unpaired electron is utilized to obtain information on t

90 switch between redox states with paired and unpaired electrons is important for molecular electronic

91 For instance, triplet FeF2 with four unpaired electrons is lower in energy than triplet FeF2

92 n electronic configuration with more than 2S unpaired electrons is more stable than the configuration

93 .9 and 10.9 GHz) from the interaction of the unpaired electron localized at C2 of the product radical

94 cyclohexadienyl resonance structure with the unpaired electron localized on the oxygen substituent.

95 tate because the open-shell singlet with the unpaired electrons localized in the nonsuperimposed PLYs

96 ile electrons to compensate for the spins of unpaired electrons localized on impurity atoms.

97 lar as well as dipole-dipole coupling to the unpaired electron located at C1 of S-2-aminopropanol.

98 proximately 2.0055, which corresponded to an unpaired electron located in the pyrylium ring.

99 5) + hole configuration that results in four unpaired electrons measured in the ferromagnetically ord

100 DFT computations reveal that the unpaired electron of rhodium(IV) nitride complex [Rh(N){

101 ted to calculate the separations between the unpaired electron of the nitroxyl group and isotopically

102 etermined electron-proton distances from the unpaired electron of the nitroxyl group of the spin-labe

103 er that of the neutral counterpart, with the unpaired electrons of Bt being stabilized by the geminal

104 Polarization was transferred from the unpaired electrons of nitroxide free radicals to nuclear

105 rises from exchange interactions between the unpaired electrons of the adsorbed radicals and conducti

106 e or absence of a C-C sigma-bond between the unpaired electrons of the parent radical.

107 as resulting from bond formation between the unpaired electrons of the radical ions A*- and D*+.

108 3*)PDI, which are each weakly coupled to the unpaired electron on (2)BPNO(*) to form excited doublet

109 This model indicates that the unpaired electron on C1 of the substrate radical and C5'

110 ses a singlet biradical ground state with an unpaired electron on each carbene C atom having opposite

111 The unpaired electron on NO makes it highly reactive and its

112 I)Mn revealed that this complex possesses an unpaired electron on the metal center, rendering it like

113 species, with about 70% localization of the unpaired electron on the NR(2) unit.

114 The effects of unpaired electrons on NMR spectral parameters provide a

115 n the (7)Li nucleus and the transition metal unpaired electrons on the basis of the Curie-Weiss tempe

116 inding is overcome through delocalization of unpaired electrons onto the metal centers and the supere

117 50 mu(B)) in solution is consistent with one unpaired electron per [N(3)]Ru moiety; however, 2 is dia

118 tion of unpaired electrons (approximately 40 unpaired electrons per particle) was studied in detail,

119 t a pumping sequence to reduce the number of unpaired electrons (quasiparticles) in close proximity t

120 (terpyridine)NiMe (2a) both suggest that the unpaired electron resides heavily on the terpyridine lig

121 eters could be obtained by assuming that the unpaired electron resides in an xy orbital in the four-c

122 d of g tensor components consistent with the unpaired electron residing in a metal-based MO.

123 udied phenyl isocyanurate anion radical, the unpaired electron(s) is now localized within an [8]annul

124 nd almost entirely isotropic coupling to the unpaired electron, show that this coupling atypically ha

125 radical in which the p-orbital harboring the unpaired electron spin at C3 is periplanar with the C-H

126 splays a markedly asymmetric distribution of unpaired electron spin density among the heme pyrrole be

127 with the theoretically predicted increase in unpaired electron spin density as axial N lone pair dona

128 rbons which, combined, possess an equivalent unpaired electron spin density as the benzylic position

129 r thermophilus, which has similar amounts of unpaired electron spin density at the beta substituents

130 A natural bond orbital (NBO) analysis of unpaired electron spin density in metalloproteins is pre

131 lecule with low chemical reactivity with the unpaired electron spin density localized on the internal

132 Approximately 90% of the unpaired electron spin density occupies metal-ligand NBO

133 o be covalent to the extent of 17-27% of the unpaired electron spin density residing in the valence 4

134 ignificantly less reliable indicators of the unpaired electron spin distribution than the methyl 13C

135 del with a highly asymmetric distribution of unpaired electron spin in the P(700)(+)(*) radical catio

136 ves rise to strong hyperfine coupling to the unpaired electron spin of the metal in the MoV oxidation

137 ODNP relies on an unpaired electron spin-containing probe located at molec

138 ol in which the dipolar coupling between two unpaired electron spins (site-directed nitroxide spin-la

139 ic resonance (EPR) spectroscopy interrogates unpaired electron spins in solids and liquids to reveal

140 es is incorrect in that the states have more unpaired electrons than the minimum number required by t

141 at 0.35 tesla by using highly spin-polarized unpaired electrons that are covalently immobilized onto

142 e (Mn) has paramagnetic properties with five unpaired electrons that permit high spin number, long el

143 s that to avoid the costly uncoupling of its unpaired electrons, the biradical favors ionic mechanism

144 he molecule include not just the presence of unpaired electrons: the electronic configuration of the

145 ity alternating with walls of spin-polarized unpaired electrons; this configuration lowers the free e

146 lity of both amide proton dipolar shifts and unpaired electron to amide proton distances permitted th

147 action proceeds, indicating migration of the unpaired electron to an alternative site.

148 ins trapped, and finally accepts and donates unpaired electron to the graphene edges and converts the

149 o decrease the inequivalent couplings of the unpaired electron to the methyl protons that shorten Tm

150 , show delocalization of both the charge and unpaired electron to the nitrogens of the cyano moieties

151 y on Li[1] reveals hyperfine coupling of the unpaired electron to two magnetically equivalent boron n

152 transfers the high polarization of exogenous unpaired electrons to nuclear spins via microwave irradi

153 transfers the high Boltzmann polarization of unpaired electrons to nuclei.

154 signals by transferring the magnetization of unpaired electrons to the nuclei.

155 sfer of spin polarization from the radical's unpaired electrons to the target nuclei.

156 NR''(*-))2] containing three ligand-centered unpaired electrons: two nitrene radicals (NR''(*-)) and

157 ected for a succinyl-CoA radical wherein the unpaired electron was centered on the carbon alpha to th

158 arrowing of the EPR signal, showing that the unpaired electron was located on the carbon skeleton of

159 s more stable than the configuration with 2S unpaired electrons (where S is the spin of the system).

160 Furthermore, magnetic coupling of the unpaired electron with (14)N from Arg260, detectable by

161 e hyperfine lines due to the coupling of the unpaired electron with (63,65)Cu isotopes, (14)N, and (1

162 da doublet propensities (orientations of the unpaired electron with respect to the molecular rotation

163 nces the ionicity of the tetravalent Nb with unpaired electrons, yielding ferromagnetic ordering.