ライフサイエンスコーパス: chemical shift

1 cts, which favor a LBHB and a large (1)H NMR chemical shift.

2 fer may occur which, in turn, may affect the chemical shift.

3 ibrils show a single or a predominant set of chemical shifts.

4 sembles giving rise to the ensemble-averaged chemical shifts.

5 relaxation measurements, and calculations of chemical shifts.

6 configurations that agree with solution NMR chemical shifts.

7 important divalent metals via metal-specific chemical shifts.

8 uch use is as a baseline for random-coil NMR chemical shifts.

9 the sugars caused specific changes in (13)C chemical shifts.

10 type formation based on changes in (19)F NMR chemical shifts.

11 underlying pH-dependent contributions to the chemical shifts.

12 e set of sodium-dependent substrate-specific chemical shifts.

13 ein structure and dynamics through (19)F NMR chemical shifts.

14 ed using descriptors comprised of atomic NMR chemical shifts ((13)C and (15)N NMR) and corresponding

15 tion structures derived from measured proton chemical shifts, (3)J-values, and (1)H-(1)H-NOESY contac

16 The remarkable cobalt fluoride (19)F NMR chemical shifts (-716 to -759 ppm) were studied computat

17 re-dependent) contributions to the total NMR chemical shifts, a relativistic two-component DFT approa

18 spectroscopic investigations (1)H and (15)N chemical shifts, a Steiner-Limbach correlation, a deuter

19 Natural chemical shift analysis of this chemical shielding tenso

20 Chemical shift analysis suggests that the more rapid tum

21 d experiments and nuclear magnetic resonance chemical shift analysis, we now report that Fin binds to

22 of quantitative relations between side chain chemical shift and structure.

23 within biomolecules, both by monitoring NMR chemical shifts and by potential perturbation of the tau

24 in good agreement with the experimental NMR chemical shifts and confirm that the sampling of the 20

25 A spin system matrix that parametrizes chemical shifts and coupling constants among spins provi

26 Chemical shifts and inter-residue contacts obtained from

27 eins (IDPs) that takes full advantage of NMR chemical shifts and J-coupling data, their known errors

28 R experiments and analyze the differences in chemical shifts and peak intensities.

29 he largely disordered nature of CBP-ID4, NMR chemical shifts and relaxation measurements show a signi

30 n enhancement distances, in combination with chemical shifts and relaxation measurements, allows for

31 NMR chemical shifts and residual dipolar coupling data revea

32 Differences in ssNMR chemical shifts and signal intensities between immature

33 Together, calculations of (13)C chemical shifts and spin coupling constants constitute a

34 r was confirmed by NICS (nucleus-independent chemical shift) and QTAIM (quantum theory of atoms in mo

35 ion- and solid-state NMR to measure dipolar, chemical shift, and quadrupolar tensors in aqueous solut

36 mputed and experimental (11) B and (1) H NMR chemical shifts, and ii) consideration of the lowest com

37 polar recoupling techniques, solid state NMR chemical shifts, and long-range side chain-side chain co

38 -concentration dependence of (1)HN and (15)N chemical shifts, and native-state hydrogen exchange at u

39 raints for the bound state are obtained from chemical shifts, and site-specific dynamics of the bound

40 ural models, as assessed by the experimental chemical shifts, and thus we determine a magnetostructur

41 Static spectra yield chemical shift anisotropy (CSA) lineshapes that are indi

42 Chemical shift anisotropy (CSA) tensors, recorded in mag

43 hemical shift tensor, manifested as residual chemical shift anisotropy (RCSA).

44 The effects of Rubb12 on (31)P chemical shift anisotropy and (2)H acyl chain order para

45 Residual dipolar couplings and residual chemical shift anisotropy provide a spatial view of the

46 -(13)C(alpha) dipolar tensor and carboxylate chemical shift anisotropy tensor of aspartate.

47 > (1)/2) to 2D correlations, to analysis of chemical shift anisotropy, providing unprecedented struc

48 is due to chemical exchange or relaxation by chemical shift anisotropy.

49 uivalent resonances with different values of chemical shift anisotropy.

50 nfield chemical shift (delta(iso)) and large chemical shift anisotropy.

51 Substituent effects on the (15)N NMR chemical shift are governed by the pi population rather

52 approach involves a database search, wherein chemical shifts are assigned to specific metabolites by

53 PMAS shows two neighboring resonances, whose chemical shifts are consistent with carbamate (at 165 pp

54 paramagnetic contributions to the (13)C NMR chemical shifts are correlated with the distribution of

55 f IL-8 (1-66) are immobilized and that their chemical shifts are perturbed upon binding to CXCR1, dem

56 ry fast, and conformational effects on (13)C chemical shifts are small (nuM1 - nuM2 < 3 ppm).

57 s rests on the perception that the reference chemical shifts arise from states where there is little

58 ace that follow pH-dependent (13)C and (15)N chemical shifts as spatially close as possible to the si

59 emical-shift dispersion and facilitating the chemical-shift assignment of challenging, repeat-contain

60 signal overlap, thereby greatly facilitating chemical-shift assignment.

61 e can apply solid-state NMR, ranging from 1D chemical shift assignments (and additional parameters, C

62 tion of psi and phi dihedral angles from the chemical shift assignments indicate that 4 beta-strands

63 difications in proteins by NMR spectroscopy, chemical shift assignments of reference compounds are re

64 ignal-to-noise 3D data that enables backbone chemical shift assignments using a strategy that is comp

65 py was performed for backbone and side-chain chemical-shift assignments of monomeric pEAbeta (3-42) i

66 erlapped resonances that prevent unambiguous chemical-shift assignments, and data analysis that relie

67 This is inefficient because deviation in chemical shifts associated with pH or temperature variat

68 zeolite moiety characterized by a broad (1)H chemical shift at ca. 12-15 ppm that is reported here fo

69 The (129)Xe NMR chemical shift at room temperature was strongly pH-depen

70 NMR spectroscopy enables the measurement of chemical shifts at optimal fields and the study of molec

71 tainties in crystal structures determined by chemical-shift-based NMR crystallography.

72 COordiNated Chemical Shifts bEhavior (CONCISE) analysis provides nov

73 NMR species that resonates at the identical chemical shift but that is not in dipolar contact with (

74 edure was developed for performing (13)C NMR chemical shift calculations employing density functional

75 signment of organic molecules using GIAO NMR chemical shift calculations when only one set of experim

76 Nucleus-independent chemical shift calculations, NMR spectroscopy, and X-ray

77 was confirmed by quantum mechanics-based NMR chemical shift calculations.

78 While the (13)C chemical shifts calculations could reveal the misassignm

79 ermined by comparison to 1 and computational chemical-shift calculations.

80 cluding J-based configurational analysis and chemical-shift calculations.

81 erved binding mode, showing almost identical chemical shift changes between binding to methylated and

82 pected from such modulation are confirmed by chemical shift changes in both observed ring C-H and cal

83 Residues exhibiting methyl chemical shift changes in I-Mad2 form a contiguous, inte

84 eveal unexpected large and alternating (13)C chemical shift changes in the K-state propagating away f

85 D1 core upon VX-809 binding is observed from chemical shift changes in the NMR spectra of residues in

86 An inter-residue correlation analysis of the chemical shift changes provides evidence of allosteric c

87 Isotropic chemical shift changes strongly support differential bin

88 interactive effect of functional group(s) on chemical shifts combine to hinder their effectiveness.

89 (15)N chemical shifts confirm a fully surface-bound conformati

90 Here, carbon and nitrogen chemical-shift conservation between fibrils revealed inv

91 binding saturation transfer experiments and chemical shift correlation analyses to gauge state popul

92 nfield shifted carbonyl chemical shifts, the chemical shift correlations of Cbeta-Hbeta of Snn and Ca

93 itivity-enhanced two-dimensional (13)C/(13)C chemical shift correlations via proton driven spin diffu

94 which are clearly distinct from random coil chemical shift correlations.

95 s of Snn and isoAsp and found characteristic chemical shift correlations.

96 established combining 1D/2D NMR techniques, chemical shift databases, pH measurements and, finally,

97 ever, for Sup35NM, like many large proteins, chemical shift degeneracy limits the usefulness of this

98 ex biomolecules and systems with significant chemical-shift degeneracy.

99 indicated by its highly shielded (29)Si NMR chemical shift (delta(29)Si = -155) and is firmly establ

100 M] = CHR, display surprisingly low downfield chemical shift (delta(iso)) and large chemical shift ani

101 rp (15)N resonances and large differences in chemical shifts (Deltadelta > 90 ppm) between their free

102 The difference of the chemical shifts (Deltadelta) in the diastereomeric compl

103 the DFT-calculated (and observed) (15)N NMR chemical shift (deltaNA) of the five different azine-sub

104 d C4'-H4' vectors are correlated to the(31)P chemical shifts (deltaP), which reflect the populations

105 )(POCOP)Ir(CO) species show an Ir-H (1)H NMR chemical shift dependence on the number of equivalents o

106 te is obtained even in the presence of large chemical shift deviations such as 0.5 ppm in (1)H and 3

107 In addition, the diastereotopic CH2D proton chemical shift difference for tricarbonyl(1-chloro-2-deu

108 We have recently shown that the small proton chemical shift difference in 2-methyl-1-(methyl-d)piperi

109 lding that was reflected in the experimental chemical shift difference.

110 (13)C CPMAS NMR revealed small chemical shift differences across the cohorts.

111 t differences Deltaomega and the equilibrium chemical shift differences Deltadelta of these states.

112 on between the relaxation dispersion derived chemical shift differences Deltaomega and the equilibriu

113 to subppb levels, these newly characterized chemical shift differences in ppb are small but diagnost

114 king of these two forms nicely explained the chemical shift differences observed in the (1)H NMR spec

115 Small chemical shift differences of BS NMR resonances were con

116 amagnetic resonance enhancement, analysis of chemical shift differences relative to the solution NMR

117 mino acid residues, as revealed by their NMR chemical-shift differences.

118 times, lack of background signal, and facile chemical-shift discrimination of different species.

119 rogen dimensions with their inherently large chemical shift dispersion lies in the use of sparse non-

120 flexibility leading to a scaling of the NMR chemical shift dispersion, and a large portion of the ba

121 This leads to increased chemical-shift dispersion and decreased signal overlap,

122 thanide-binding tag (LBT) for increasing the chemical-shift dispersion and facilitating the chemical-

123 -phase and out-of-phase echoes, required for chemical shift (Dixon) reconstruction, in the same repet

124 TCR beta-chain dynamics reveals significant chemical shift effects in sites removed from the MHC-bin

125 ) imaging at 1.5 T, which included multiecho chemical shift-encoded acquisition of the abdomen.

126 Complex chemical shift-encoded magnetic resonance (MR) examinati

127 as estimated by using a confounder-corrected chemical shift-encoded MR imaging method with hybrid com

128 alytical procedure based on highly selective chemical shift filters followed by TOCSY, which allows u

129 is a much more intuitive parameter than the chemical shift for probing self-association, aggregation

130 t method uses the much more unambiguous (1)H chemical shifts for assignment and (31)P intensities for

131 ng the lack of fast methods to compute (13)C chemical shifts for carbons bearing heavy atoms.

132 MAS spectra yield isotropic chemical shifts for each crystallographically inequivale

133 The chemical shifts for EmrE were consistent with beta-stran

134 ymorphism, showing at least four sets of NMR chemical shifts for various residues, while the Osaka an

135 Chemical shifts from Nuclear Magnetic Resonance (NMR) ar

136 een observed from calorimetry and changes in chemical shifts from nuclear magnetic resonance spectros

137 Small Molecule Pathway Database (SMPDB) and chemical shifts from the Human Metabolome Database (HMDB

138 Results also encompass (13)C and (19)F NMR chemical shifts, from both tautomers of 2-fluorohistidin

139 ts commonly used for prediction of (13)C NMR chemical shifts, from which the B3LYP/cc-pVDZ level of t

140 A consistent steric effect on chemical shift has been observed for N-alkyl pyrazole an

141 al line broadening, cross-peak splitting and chemical shift heterogeneity that reflect the presence o

142 Isotropic chemical shifts, ICS(gamma), were determined for sp, sp(

143 Chemical-shift images with six widely spaced echo times

144 Multivoxel chemical shift imaging (CSI) was used to explore creatin

145 Proton chemical shift imaging of the brain was performed in a c

146 for tissue segmentation followed by 31P MRS, chemical shift imaging scan with 84 voxels of data colle

147 ing a unique, noninvasive magnetic resonance chemical shift imaging technique at 3 T and compared wit

148 ell as simultaneous multi-metal detection by chemical shift imaging.

149 , G37, and V40 exhibit beta-strand secondary chemical shifts in 2-dimensional (2D) finite-pulse radio

150 n of methyl rotational equilibria and proton chemical shifts in a variety of 2-substituted 1-(methyl-

151 that parametric corrections to DFT-computed chemical shifts in conjunction with rff-computed spin-sp

152 analyses from a large data set of (13)C NMR chemical shifts in DMSO are presented with TMS as the ca

153 th close to natural linewidths and with only chemical shifts in F2.

154 The (31)P chemical shifts in lipids are highly sensitive to experi

155 between the electronic structure and the NMR chemical shifts in open-shell systems, including the rut

156 We use (19)F NMR chemical shifts in the MgF3(-) transition state analogue

157 form of the buried volume and the (77)Se NMR chemical shift, in particular the sigmayy component of t

158 Importantly, pH-dependent (15)N chemical shifts indicate that His19 retains the neutral

159 riazole groups have been prepared, and (19)F chemical shifts indicate that these triazole groups are

160 Solid-state NMR chemical shifts indicate the prolyl amide bond in the pi

161 Chemical shift indices (CSI) and nuclear Overhauser effe

162 rst used an automated procedure in which NMR chemical shifts inform the construction of system-specif

163 Chemical shift is the most readily measured NMR paramete

164 the sign and magnitude of the pseudocontact chemical shift, is extremely sensitive to minimal struct

165 this random-coil baseline, through secondary chemical shifts, is used to infer protein secondary stru

166 From a quantitative analysis of chemical shifts, it was found that urea redistributes pr

167 hose of a recent maximum entropy analysis of chemical shifts, J couplings, and (1)H-(1)H NOEs.

168 Combining 1D/2D NMR experiments, chemical shift libraries, and authentic compound data, r

169 Using NMR chemical shift mapping and mutagenesis, we identified a

170 Chemical shift mapping identified residues of FBD involv

171 on during viral replication, we used the NMR chemical shift mapping information as a guide to introdu

172 crystal structure of BhCBM56 and NMR-derived chemical shift mapping of the binding site revealed a be

173 with GSH reaction rates, suggesting that NMR chemical shifts may be a convenient surrogate measure of

174 With dual-echo chemical-shift MR imaging, SII signal intensity index an

175 in group B had signal intensity decrease at chemical-shift MR imaging.

176 d a signal drop in the intramural nodules on chemical shift MRI.

177 Nucleus-independent chemical shift (NICS) calculations show the internal pen

178 borine core, detected in nuclear independent chemical shift (NICS) calculations, are consistent with

179 nsity analyses (CDA) and nucleus independent chemical shifts (NICS).

180 Computed dissected nucleus-independent chemical shifts, NICS(1)(zz), reveal a uniform pattern a

181 es were studied with the nucleus-independent chemical shift (NICSzz), anisotropy of the current (indu

182 Chemical-shift NMR of P[19] VP8* identified a ligand bin

183 th only small differences in (15)N and (13)C chemical shifts, no significant differences in NMR line

184 lysate, is simplified by virtue of the (13)C chemical shift obtained in the experiment.

185 that the lowest predicted (13)C and/or (1)H chemical shift of a heterocycle correlates qualitatively

186 The chemical shift of Li polysulfides in (7) Li NMR spectros

187 The (13)C NMR chemical shift of the alkylidyne carbon increases with i

188 The (13)C chemical shift of the central carbon atom of carbenes in

189 copic differentiation based on the (13)C NMR chemical shift of the parent and protonated derivatives

190 (31)P-MRS measurements of the chemical shift of the pH probe, 3-aminopropylphosphonate

191 ffects have significant contributions to the chemical shift of Xe in the cage and enabled the replica

192 The base and sugar (H6,C6, H1',C1') chemical shifts of C43 for the dominant conformer are si

193 49 structures by matching the changes in the chemical shifts of CaM upon Ng13-49 binding from nuclear

194 alue was also calculated from the CD-induced chemical shifts of each RA proton in order to collect in

195 Both (77)Se and (125)Te NMR chemical shifts of given chalcogenide ligands were ident

196 uclear magnetic resonance technique that the chemical shifts of glucose H-6 and alpha-carbon protons

197 We report here (13)C and (15)N chemical shifts of His37 in the cytoplasmic-containing M

198 Though the (1)H and (15)N NMR chemical shifts of N-acetyl- and N-sulfoglucosamine resi

199 Deviation in Shifts (BIRDS), which utilizes chemical shifts of non-exchangeable protons from macrocy

200 MR spectroscopy to assign all (1)H and (13)C chemical shifts of Snn and isoAsp and found characterist

201 ote a correlation between (1)H and (13)C NMR chemical shifts of the acrylamide with GSH reaction rate

202 nges to both CaM lobes as indicated by amide chemical shifts of the amino acids of CaM in (1)H-(15)N

203 ons were then derived using the experimental chemical shifts of the Htt peptide at low and neutral pH

204 The solid-state NMR chemical shifts of the PLP pyridine ring nitrogen and ad

205 The (13)C chemical shifts of the protonated derivatives are solely

206 can be accurately determined, while the (1)H chemical shifts of the Rh...H-C motif can be determined

207 Change in the chemical shifts of thiophene -CH-protons during the cour

208 cific (19)F nuclear magnetic resonance (NMR) chemical shift offset (Deltaomega) values between the io

209 Quantum chemistry calculations of the NMR chemical shifts on cluster models aided in the interpret

210 r X-ray crystallography along with extensive chemical shift overlap and broadened linewidths associat

211 mises to reduce difficulties associated with chemical shift overlap and rapid signal decay that have

212 c resolution, increased spectral complexity, chemical shift overlap, and short transverse relaxation

213 Chemical shift overlaps in the 1D or 2D NMR experiments

214 1500 MHz for (1)H) the (17)O quadrupolar and chemical shift parameters were determined for the two ox

215 ted to systematically explore alterations in chemical shift patterns due to variations in other exper

216 NMR chemical shift perturbation (CSP) experiments with pepti

217 Chemical shift perturbation analysis by (1)H-(15)N heter

218 Pulldown experiments and chemical shift perturbation analysis with (15)N-labeled

219 ults derived from nuclear magnetic resonance chemical shift perturbation analysis, orthogonal binding

220 at the interaction occurs in solution by NMR chemical shift perturbation and isothermal titration cal

221 JadX through protein-ligand interactions by chemical shift perturbation and WaterLOGSY NMR spectrosc

222 (A and B) in conformational flexibility and chemical shift perturbation confirmed unidirectional all

223 tion in LD found in HIES (I568F) induces NMR chemical shift perturbation in SH2, DBD and the coiled-c

224 Nuclear magnetic resonance chemical shift perturbation studies with an arbitrary si

225 We use NMR chemical shift perturbation to show that DDX3X interacts

226 Using NMR chemical-shift perturbation (CSP) analysis, we identifie

227 The resulting NMR chemical shift perturbations (CSPs) of each mutant revea

228 he ACPS binding interface on holo-ACPP using chemical shift perturbations and by determining the rela

229 HADDOCK docking simulations using chemical shift perturbations and residual dipolar coupli

230 Nevertheless, the NMR chemical shift perturbations caused by azoles and substr

231 NMR chemical shift perturbations demonstrate that a positive

232 We then measured chemical shift perturbations in the (15)N-labeled SH3 do

233 The nearly complete lack of chemical shift perturbations in the tandem construct sup

234 Chemical shift perturbations of IL-10 induced by GAG bin

235 se micelle surfactant shell causes localized chemical shift perturbations of the encapsulated protein

236 he beta1 cytoplasmic tail induced only small chemical shift perturbations on the opposite face of the

237 The absence of significant chemical shift perturbations with several azoles reveale

238 e intramolecular network structure using NMR chemical shift perturbations.

239 e have mapped the lipid-binding site through chemical shift perturbations.

240 ssociation of the G domains, we analyzed NMR chemical shifts perturbations at a number of sites near

241 rge proteins that relies on experimental NMR chemical shifts, plus sparse nuclear Overhauser effect (

242 tion of molecular mechanics force fields and chemical shift prediction algorithms.

243 ing, DFT calculations, and computational NMR chemical shift predictions and by comparison of experime

244 These tools, along with chemical shift predictions from the PACSY database, grea

245 , X-ray crystallography, and structure-based chemical shift predictions to explore the structural bas

246 saturation transfer (DEST), relaxation, and chemical shift projection NMR analyses with fluorescence

247 lculated and experimental (1)H and (13)C NMR chemical shifts provides evidence in support of the diam

248 has been assessed using nucleus-independent chemical shift, quantum theory of atoms in molecules, an

249 t yet reported, and expands the known (77)Se chemical shift range for diamagnetic substances from app

250 Significant correlation was found for CSR chemical-shift ratio (r = -0.761) and SII signal intensi

251 ficant correlation with age was seen for CSR chemical-shift ratio (r = 0.702, P < .001) but not SII s

252 ent (intraclass correlation coefficient: CSR chemical-shift ratio , 0.893; SII signal intensity index

253 ity index and 100%, 96.7%, and 0.849 for CSR chemical-shift ratio .

254 ter with SII signal intensity index than CSR chemical-shift ratio .

255 Mean CSR chemical-shift ratio and SII signal intensity index +/-

256 imaging, SII signal intensity index and CSR chemical-shift ratio have high accuracy to distinguish t

257 rplasia from tumors, although overlapped CSR chemical-shift ratio values can occur in early adulthood

258 Pyridine used as a (6)Li chemical shift reagent proved useful in assigning solvat

259 To provide chemical shift reference data suitable for comparison wi

260 ature and of the sample pH endows an optimal chemical shift reproducibility, making the procedure ame

261 ultaneously on both channels, resulting in a chemical shift resolved spin relaxation measurement.

262 ment justifying its use for a wide range RNA chemical shift resonance assignment problems.

263 Marked temperature-dependent (15) N chemical shifts seem to be associated with this ladderin

264 This distinct chemical shift should aid in experimental detection of t

265 er, NMR spectra reveal sharp resonances with chemical shifts showing [Formula: see text] to be intrin

266 Analysis of the secondary chemical shifts shows that this core region adopts predo

267 scopy, supported by in silico predictions of chemical shifts, shows both two- and threefold screw xyl

268 e stereochemistry-dependent conformation and chemical shift signature appeared to be due to a syn pen

269 s new approach outperformed other methods of chemical shift simulation, including database-driven, ne

270 s together with molecular modeling using NMR chemical shifts suggest that new interactions involving

271 d with a localized bond model, determine the chemical shift tensor and thereby delta(iso).

272 In the presence of agostic interaction, the chemical shift tensor principal components orientation (

273 can reveal the anisotropic component of the chemical shift tensor, manifested as residual chemical s

274 r-component relativistic calculations of the chemical shift tensors combined with a two-component ana

275 and dynamic, as revealed by their (13)C NMR chemical shift tensors.

276 vironments resulted in almost identical (1)H chemical shifts that agree with NMR solution data.

277 recent advances made in the analysis of NMR chemical shifts that provide quantitative information ab

278 f Snn are the two downfield shifted carbonyl chemical shifts, the chemical shift correlations of Cbet

279 When these states have distinct chemical shifts, the measurement of relaxation by NMR ma

280 G) relaxation dispersion experiments and NMR chemical shift titrations reveal diminished enzyme flexi

281 greement with previous results determined by chemical shift titrations.

282 ure of NMR as well as the sensitivity of NMR chemical shifts to altered sample conditions, experiment

283 informatics algorithms to match experimental chemical shifts to values predicted for the crystallogra

284 ulations with experimental and computational chemical shift uncertainties.

285 (1)H chemical shifts up to 11.8 ppm revealed that certain che

286 axial fluoro substituent in 3 did not change chemical shift upon titration, and there was no signific

287 equilibrium and kinetic measurements and NMR chemical shifts used as structural restraints in replica

288 natured states of a protein by modelling NMR chemical shifts using restrained molecular dynamics simu

289 Although the ca. 13 ppm chemical shift value is consistent with computational pr

290 bond equalization and a nucleus-independent chemical shift value lower than that of benzene.

291 orrelations with two of the (13)C and (77)Se chemical shift values and as well as one (13)C-(77)Se co

292 e also developed tools to visualize assigned chemical shift values and to convert between NMR-STAR an

293 file format and vice versa, and to visualize chemical shift values.

294 thC) orbital, explaining the more deshielded chemical shift values; it also leads to an increased ele

295 d freeze-thaw cycles on the reproducibility, chemical shift variability, and signal-to-noise ratio (S

296 ysaccharides was monitored by following (1)H chemical shift variations, changes in NMR peak areas, an

297 of these complexes on the (1)H and (13)C NMR chemical shifts was systematically investigated by tempe

298 Nucleus-independent chemical shifts were calculated to compare the aromatici

299 olarization (DNP) techniques and their (15)N chemical shifts were found to be highly sensitive to pH.

300 method (nuclear spin-spin coupling and (13)C chemical shifts) which we term DU8+ is recommended as th