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1 NMR analyses of the Y(3)N@I(h)-C(80) adducts found that
2 NMR analysis of the progressing reaction shows that it i
3 NMR and MRI signals are directly proportional to the nuc
4 NMR data revealed that the rotation of the imidazolium r
5 NMR experiments revealed that binding of one divalent me
6 NMR metabolomics approach was used to distinguish fresh
7 NMR relaxation dispersion measurements report on conform
8 NMR relaxation dispersion, chemical exchange saturation
9 NMR spectroscopic analysis revealed that gladiostatin, w
10 NMR spectroscopy showed a significant increase (P < 0.05
11 NMR studies and mutation experiments show that both acid
12 NMR techniques were used to analyse both the supramolecu
13 NMR time-course experiments with excess formaldehyde in
14 NMR titration experiments and density functional theory
15 NMR titrations mapped 3-O-S binding sites to the microtu
16 NMR-based analysis of beer samples was sped developing a
17 NMR-based molecular-level characterization identified th
19 quencing and fecal/urinary metabolites by 1H-NMR spectroscopy was complemented with targeted quantifi
21 rofiles can be obtained from noisy 1D and 2D NMR data with high temporal resolution, allowing further
22 onstrates the proof of concept for 1D and 2D NMR methods in the targeted and untargeted analysis of p
23 ctrometry (UHPLC-HRMS) supported by 1 and 2D NMR spectroscopy was used for unambiguous metabolic prof
24 r magnetic resonance spectroscopy (1D and 2D NMR) and high-resolution tandem mass spectrometry (HRMS/
25 eir complex structures were determined by 2D NMR studies as well as crystalline-sponge-based X-ray di
26 ne-dimensional (1D) and two-dimensional (2D) NMR studies revealed that in fused sapphyrins, the furan
30 scY is proposed to refer to the class of all NMR spectroscopy experiments that rely on viscous solven
32 we sought different chemical matter from an NMR-based fragment screen using selective methyl labelin
33 nzymatic activity of p97 in real time via an NMR-based approach that allows us to follow the steps th
35 plays a pivotal role in systems biology, and NMR is a central tool with high precision and exceptiona
36 sslinking and immunoprecipitation (CLIP) and NMR spectroscopy to identify and characterise physiologi
39 ogy approach using X-ray crystallography and NMR spectroscopy and evaluate their role in PMT function
40 ay oligomers using X-ray crystallography and NMR, providing insight into why tetramer stabilization i
44 ecA and YchJ, also copurified with iron, and NMR spectroscopy experiments indicated that YecA binds i
45 e used electrophysiology, microdialysis, and NMR spectroscopy to evaluate the effect of a NMDAR PAM (
46 ombination of DFT theory, solvent model, and NMR-active nuclei, using both user-selected reference co
49 change, electron paramagnetic resonance, and NMR spectroscopy experiments reveal that a disorder-to-o
51 tion by attaching a variety of tags, such as NMR tags, fluorescent tags, affinity tags, and alkyne ta
52 When species contain sparse fluorine atoms, NMR spectra of fluorine-containing spin systems can be e
54 is the double probe given by (1)H and (11)B NMR tracing the reciprocally antipodal endocyclic open f
56 lfolane/water and sulfolane/DMSO-d(6) binary NMR solvents are reported for the individualization of m
63 pramolecular complexes were characterized by NMR, ESI-MS, UV-vis, ITC, and cyclic voltammetric studie
65 een hGrx1, Atox1 and WLN5-6 were detected by NMR spectroscopy both in the presence and absence of Cu
66 , the structural features were determined by NMR spectroscopy in micelles and solved by using restrai
67 an alpha-helical structure as determined by NMR, exhibited increased antibacterial properties compar
68 Stable isotopes are routinely employed by NMR metabolomics to highlight specific metabolic process
69 mounts of quartz in amorphous silica gels by NMR spectroscopy was developed and tested on commerciall
70 Hydrogen/deuterium exchange monitored by NMR can be used to map epitopes onto folded protein surf
71 e structure of two of the novel orbitides by NMR, finding one had a definable structure, whereas the
72 sical characterization of the knot region by NMR spectroscopy, we identify the SAM-binding region and
74 ocoa was characterized for the first time by NMR spectroscopy, then compared with the profiles of fer
75 nhancements of up to ~100-fold in the (13) C NMR signal compared to thermal equilibrium at 9.4 T.
77 eak assignments have to be verified by (13)C NMR and multidimensional techniques, MALDI/ToF MS provid
78 experimentally determined data (e.g., (13)C NMR chemical shifts) with those predicted for all possib
80 ation, the intensity difference of the (13)C NMR signals of the two nanostructured enantiomers vanish
81 ere characterized by means of (1)H and (13)C NMR spectrometry as well as single-crystal X-ray diffrac
82 an hydrolysate was done using FTIR and (13)C NMR which revealed alpha and beta form of galactose or g
84 e experimental parameters of E. coli in-cell NMR and found that the detectability and resolution of t
85 is not easy to obtain well-resolved in-cell NMR spectra because the detectability and resolution of
86 ctions, employing a combination of chemical, NMR, kinetic and theoretical approaches, culminating in
88 (15)N-heteronuclear single quantum coherence NMR, the optimal binding sequence was identified as TTGT
91 ity of a database containing many comparable NMR spectra produced by different spectrometers is cruci
92 ate structure prediction using computational NMR techniques depends on how much of the relevant confo
93 etected (1)H-(17)O heteronuclear correlation NMR experiments allow for a rapid identification and dif
96 a show the presence of an additional (133)Cs NMR signal with a unique chemical shift that is attribut
101 for acceleration of the restricted diffusion NMR measurements: time-resolved diffusion NMR and ultraf
102 to a month, as it includes multi-dimensional NMR experiments that require prolonged experiment times.
107 In particular, we report (1)H DNP-enhanced NMR experiments on liquid samples having a volume of abo
109 etic NiL(0) , which displays a single (19) F NMR peak shifted by >35 ppm with accelerated relaxation
114 netic analysis in concert with in situ (19)F NMR monitoring allow us to propose that the pyridone lig
115 n investigated by in situ/stopped-flow (19)F NMR spectroscopic analysis of the kinetics of alkene dif
119 l (or domain-specific) isotopic labeling for NMR, or deuteration for neutron scattering or diffractio
120 s been that the radiofrequency, required for NMR excitation and detection, cannot easily penetrate th
122 chemical shift data is shown to be vital for NMR structure analysis of minor polysaccharide component
124 see text]) dynamics in materials using e.g. NMR and related techniques has so far been very challeng
127 ploying clinical chemistry analysis, 1D (1)H NMR and mass spectroscopy (FIA-MS/MS and LC-MS/MS) techn
129 nucleotides by 1-dimensional (1D) imino (1)H NMR as well as by 2D HyperW NMR spectra acquired upon si
130 acquisition of 2-dimensional (2D) (15)N-(1)H NMR correlations, and thereby combining an enhanced spec
133 mixture; (ii) metabolites present in 62 (1)H NMR spectra of urine of subjects with T2DM and 62 (1)H N
135 High-resolution magic-angle-spinning (1)H NMR spectroscopy (HR-MAS NMR) is a well-established tech
138 labeling studies, variable-temperature (1)H NMR spectroscopy, and density functional theory calculat
139 X-ray crystallography and paramagnetic (1)H NMR spectroscopy, the results of which support the struc
140 light (MALDI/ToF) mass spectrometry and (1)H NMR were used for the structural investigation of isopht
142 ny) by (1)H Nuclear Magnetic Resonance ((1)H NMR) spectroscopy and its in vitro antioxidant propertie
144 nding event was studied by both ITC and (1)H NMR, again without providing positive evidence of ampici
146 investigations and DSC-, MALDI-TOF-MS-, (1)H NMR-studies of linear polymers prepared in the presence
155 (1D) imino (1)H NMR as well as by 2D HyperW NMR spectra acquired upon simultaneous injection of hype
156 lution solid-state (1)H, (71)Ga, and (115)In NMR spectroscopy; and discrete Fourier transform (DFT) a
158 re consistent with ring currents measured in NMR spectroscopy and simulated in time-dependent density
161 A multi-methodological approach, including NMR, MS, HPLC-PDA, GC-MS and spectrophotometric analyses
164 chromatography (LC) fraction collection, LC-NMR-mass spectroscopy and one-dimensional and two-dimens
167 rine incorporation is ideally suited to many NMR techniques, and incorporation of fluorine into prote
168 angle-spinning (1)H NMR spectroscopy (HR-MAS NMR) is a well-established technique for assessing the b
170 nts, microscale thermophoresis measurements, NMR titrations, and computational docking calculations,
173 late salts are characterized by multinuclear NMR spectroscopy, X-ray analysis, as well as their calcu
182 describes the first application of the novel NMR-based machine learning tool "Small Molecule Accurate
185 14 putatively causal SNPs explained ~38% of NMR variation, a substantial increase from the ~20 to 30
187 frameworks is confirmed by a combination of NMR, Raman, and energy-dispersive X-ray (EDX) spectrosco
190 These results underline the suitability of NMR spectroscopy for the identification and quantificati
191 that the ostensibly equal susceptibility of NMR and mouse cells to transformation observed by Hadi e
192 nderstanding of such relativistic effects on NMR shifts is important in many branches of chemical and
194 etailed mechanistic studies including online-NMR and ESI-MS measurements were conducted to identify r
195 and a data set of one-dimensional (1D) (31)P NMR and 2D (1)H-(31)P HSQC-TOCSY spectra of 38 common ph
196 (K(1:1)) with a UV-vis active sensor, (31)P NMR shifts upon coordination with triethylphosphine oxid
200 this work, we develop a simple and practical NMR method for extracting both energetic and dynamic inf
203 op a one-pot in vitro reaction for producing NMR quantities of methyl-labeled DNA at the C5 and N6 po
205 strongly aromatic properties, and the proton NMR spectra showed the N-methyl resonances near -3 ppm.
206 n function), spectroscopy (impedance, Raman, NMR and INS), and ab initio simulations aimed at elucida
207 various tissues from mice, naked mole rats (NMRs), and bats possess two mechanistically similar syst
212 antum mechanical/nuclear magnetic resonance (NMR) approaches are widely used for the configuration as
214 crystallography, nuclear magnetic resonance (NMR) imaging, and cryogenic electron microscopy (cryo-EM
215 State-of-the-art nuclear magnetic resonance (NMR) selective experiments are capable of directly analy
219 ar dichroism and nuclear magnetic resonance (NMR) spectroscopy that Spp2 is intrinsically disordered
220 action (XRD) and nuclear magnetic resonance (NMR) spectroscopy to demonstrate that the apparent first
221 amined employing nuclear magnetic resonance (NMR) spectroscopy to determine the reaction kinetic prof
224 Here, solution nuclear magnetic resonance (NMR), neutron reflectometry (NR), and molecular dynamics
227 use a combination of protein semisynthesis, NMR, and enzymological analysis to characterize structur
228 ein ribose sensor detectable via a sensitive NMR technique known as hyperpolarized (129)Xe chemical e
230 aracterization and quantification by (29) Si NMR spectroscopy has received significant attention, it
232 and (31)P-labeled metabolites from a single NMR sample, and a data set of one-dimensional (1D) (31)P
233 tems during the increasingly popular in situ NMR characterization at elevated temperatures and pressu
235 structure of BTNL2 as determined by solution NMR spectroscopy and also the picosecond-nanosecond time
236 des), which in combination with the solution NMR methodologies developed here, constitutes essential
238 Pgamma to GAFab in conjunction with solution NMR spectroscopy of isotopically labeled Pgamma identifi
240 ing nuclear magnetic resonance spectroscopy (NMR) with the aim of building and evaluating multivariat
241 ing Nuclear Magnetic Resonance spectroscopy (NMR), Isothermal Titration Calorimetry (ITC), Microscale
243 f Orb2A using a nonconventional liquid-state NMR spectroscopy strategy based on (13)C detection to af
244 blished through a combination of solid-state NMR (SSNMR) experiments, including J-resolved SiH coupli
245 hNM dynamics was determined by solid-state NMR and revealed that the lamellar gel-to-fluid phase tr
246 action, and variable-temperature solid-state NMR by (13)C cross-polarization magic angle spinning (CP
249 challenges and devise a (119)Sn solid-state NMR protocol for the determination of the local structur
250 Conventional and DNP-enhanced solid-state NMR provides a molecular-level understanding of the dist
252 77, which are visible in the MAS solid-state NMR spectra, show (13)Calpha chemical shifts that are hi
253 on approach (MCR), to denoise 2D solid-state NMR spectra, yielding a substantial S/N ratio increase w
254 Herein, we demonstrate that solid-state NMR spectroscopy allows the unambiguous assignment of or
255 lation times obtained from (13)C solid-state NMR spectroscopy measurements establish the occurrence o
258 n this work, we have employed solution state NMR spectroscopy to characterise the structural ensemble
260 nteraction of NSC622608 with VISTA using STD NMR and molecular modeling enabled the identification of
261 ved and saturation transfer difference (STD) NMR spectroscopy, differential scanning fluorimetry (DSF
262 s was supported by equilibrium dialysis, STD-NMR experiments, and inhibition analysis of GD3-binding
265 are lacking, we developed a straightforward NMR approach termed hydrogen/deuterium exchange memory (
269 , time domain nuclear magnetic resonance (TD-NMR), and machine learning classification models (ML) fo
270 ion spectroscopy (XAS), variable temperature NMR, and density functional theory (DFT) calculations, s
276 that the detectability and resolution of the NMR spectra clearly depended on the growth phase of the
277 microsensor designs, with some tested on the NMR in less than 24 h after the start of the design proc
280 gned to be (2S,5R,8R) by comparison with the NMR data and specific rotation of the synthetic compound
282 ectively explore chemical space, a universal NMR experiment, a rationally designed fragment library,
283 d at typical ESR frequencies because, unlike NMR, the exchanging states yield ESR signals that are no
290 were also obtained for both cultivars using NMR and HRMS data, but only for classification by market
295 Metabolomic analysis of the wines using NMR did not find any correlations with climate/daytime t