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1 NMR and CLSM analysis support the interactions between p
2 NMR and crystallography indicate that a phosphoserine, b
3 NMR self-diffusion and relaxation, coupled with viscosit
4 NMR spectra of isolated MOS indicated minimal amounts of
5 NMR spectroscopy further demonstrated that DREB2A underw
6 NMR studies confirmed the pocket of binding of 12 as pre
7 NMR studies revealed that Mg(2+) binding and beryllofluo
8 NMR titration and Molecular Dynamics simulation identifi
9 NMR titration combined with in vitro and in vivo protein
10 NMR, ESR, and neutron diffraction allow the environment
13 umentation (like UV-vis, FTIR, Raman, and 2D NMR benchtop spectrometers), is shown to provide a detai
14 itially determined via analysis of 1D and 2D NMR spectroscopic data and the assignment was confirmed
15 To facilitate characterization via 1D and 2D NMR, we synthesized (13)C-enriched FEC, ultimately allow
18 achieves (129)Xe polarizations reaching 7%, NMR signals exceeding 1 muT, lifetimes up to 6 s, and si
20 65%) of the inhibitors are flagged by ALARM NMR, an industry-developed counter-screen for promiscuou
21 ion, shows strikingly low variability of all NMR parameters: Starting as a nucleation site for monome
23 demonstrated that EuDO3A could be used as an NMR shift reagent for imaging extracellular lactate prod
24 ximately 45 degrees from that observed in an NMR structure of the Escherichia coli LpoA N domain.
27 The potential to revolutionize analytical NMR and clinical diagnosis through this approach reflect
28 , using isothermal titration calorimetry and NMR spectroscopy, we report that acidic residues in the
31 to guide rational structure-based design and NMR screening of focused and diverse fragment libraries.
32 ucture, together with molecular dynamics and NMR studies, has revealed how the human PCNA clamp slide
33 c acid from various structural elements, and NMR spectroscopy indicated complete de-esterification of
35 it directly mediates Skp1 glucosylation, and NMR demonstrated formation of a Glcalpha1,3Fuc linkage.
36 rature, and characterized by means of IR and NMR spectroscopic data as well as by single crystal X-ra
42 crystallography, computational studies, and NMR solution conformational analysis was successfully ap
44 ll, we found our method to be as accurate as NMR while at the same time requiring only microgram amou
46 e illustrate the effectiveness of DEST-based NMR approaches in investigating the mechanism of low-mol
49 rafast 2D NMR approach applied on a benchtop NMR system (43MHz) for the authentication of edible oils
54 ene-fused BODIPYs 4a-c were characterized by NMR spectroscopy, HRMS, DFT calculations, and, in the ca
57 The peptide orientation, as determined by NMR, showed that this amphipathic structure matches the
60 ification, and quantification of the drug by NMR methods were surveyed, as well as the use of NMR-bas
64 tic relaxation enhancement (PRE) measured by NMR spectroscopy to study the transient intermolecular i
67 ted RNA structures in the PDB were solved by NMR methods, the usefulness of NMR is still limited by t
69 procedure was developed for performing (13)C NMR chemical shift calculations employing density functi
71 roqui noline is reported, the (1)H and (13)C NMR data of which are in excellent agreement with those
73 R) that are deuterated apart from (1)H/(13)C NMR probes at isoleucine delta1 methyl groups, which fac
74 10% missing intensity corresponds to a (13)C NMR species that resonates at the identical chemical shi
77 of MS, isotope labeling, and (1)H and (13)C NMR techniques, we established that the major product, M
78 the past, (13)C NMR spectroscopy (irm-(13)C NMR) was mainly used to measure isotope ratio monitoring
80 acid in Bacillus subtilis is unknown, (13) C-NMR studies were carried out to decipher the pathway for
83 cially in the field of molecular chaperones, NMR has recently provided the first-ever high-resolution
86 terpene, coined "pseudolaratriene." Combined NMR and quantum chemical analysis verified the structure
87 ctron density in the C domain; complementary NMR studies are described in the accompanying article.
88 fer (GEST), allows the use of a conventional NMR setup to study and quantitatively assess a wide rang
90 these dynamics, using X-ray crystallography, NMR spectroscopy, and ab initio quantum-mechanical calcu
93 effect of SP-C and cholesterol by deuterium NMR and phosphorus NMR and by electron spin resonance.
95 used a combination of relaxation dispersion NMR spectroscopy and molecular dynamics simulations to d
97 f a small number of specific labels with DNP NMR enables determination of architectural information a
100 ectures were characterized by NOESY and DOSY NMR spectroscopy, ESI-MS, TWIM-MS, and transmission elec
101 ) P) and two-dimensional (COSY, NOESY, DOSY) NMR spectroscopy, ESI-MS, ion-mobility mass spectrometry
103 he dioxo compound, as established by dynamic NMR spectroscopy, excludes the intermediacy of mer-(ONO(
105 ynamic nuclear polarization surface enhanced NMR spectroscopy approach that induces a 200-fold increa
106 We demonstrate herein, how the enhanced NMR sensitivity provided by SABRE hyperpolarization allo
114 ivity and are water-soluble, and their (19)F-NMR analyte fingerprint is pH-robust, thereby making the
118 sitive nanoprobes adds another dimension for NMR detection of biological cells based on the cell type
125 B host systems, we also demonstrate, by (1)H NMR and DFT calculations, that the chalcogen atoms orien
127 m differential scanning calorimetry and (1)H NMR and UV-vis-NIR spectroscopies is presented, demonstr
128 hemical marker has been identified, the (1)H NMR chemometrics approach may contribute in the choice o
129 ions are validated against experimental (1)H NMR data, demonstrating that model-driven engineering ha
130 low temperature and features a hydride (1)H NMR signal (in solution 35.61 ppm; in the solid state 31
133 we carried out metabolomic analysis by (1)H NMR spectroscopy of media from astrocyte-spinal neuron c
134 M phosphate, 25 degrees C) monitored by (1)H NMR spectroscopy show benign acetic acid as the only sig
135 , were synthesized and characterized by (1)H NMR spectroscopy, IR spectroscopy, mass spectrometry, an
137 Proton Nuclear Magnetic Resonance ((1)H NMR) was employed to study monovarietal commercial Spani
138 of UV-vis absorption, resonance Raman, (1)H NMR, EPR, and X-ray absorption (near-edge) spectroscopy,
140 e compounds were confirmed by MS, FTIR &(1)H NMR; and their properties were characterized by Temperat
144 the native state as probed by heteronuclear NMR spectroscopy and multiple conformer simulations of c
145 approach that simulates (13) C multiplets in NMR spectra and utilizes mass increments to obtain long-
146 the initial addition product (6) observed in NMR and HPLC-MS experimental analysis is postulated by u
149 The use of low-temperature, rapid injection NMR spectroscopy (RI-NMR), kinetic studies, and computat
153 ombined with (1)H magic angle spinning (MAS) NMR detection, absolute quantification of water in micro
157 hich was fully characterized by multinuclear NMR spectroscopy as well as single-crystal X-ray diffrac
162 an approach that uses advanced approaches of NMR and mass spectrometry to analyze the fate of individ
165 ting for the anomalous solvent dependence of NMR shifts for a series of lanthanide(III) complexes, na
166 o provide an insight into the limitations of NMR-based methodologies applied to ligand screening in t
168 ommunication will highlight the potential of NMR spectroscopy as a method for identification of probl
171 as a model system, we demonstrate the use of NMR to distinguish between free and bound polymer and to
172 methods were surveyed, as well as the use of NMR-based metabolomics for the search of potential surro
173 ere solved by NMR methods, the usefulness of NMR is still limited by the high cost of sample preparat
175 Using methyl transverse relaxation-optimized NMR spectroscopy, we demonstrate that only three of the
176 this design is that data stored in original NMR-STAR can be easily converted into its equivalent Jav
178 re confident signal assignment than 1D (31)P NMR, although currently the ubiquitous use of this novel
179 ess for many decades to explain paramagnetic NMR pseudocontact shifts, and has been the subject of ma
180 ently available Python libraries for parsing NMR-STAR formatted files: PyStarLib, NMRPyStar, and PyNM
181 ocation of the affected amide peaks, partial NMR assignments, and JM mutants (ST(296)AA or T(304)A) i
183 that they possess different melting points, NMR spectra, crystal structures, and stacking patterns i
186 a-lactams and illustrate the utility of PrOF NMR for efficiently analyzing metal chelation, identifyi
187 ), relaxation, and chemical shift projection NMR analyses with fluorescence, dynamic light scattering
192 ategy that allowed us to obtain high-quality NMR data providing, to our knowledge, the first comprehe
193 rovision based on Nicotine Metabolite Ratio (NMR) status (slow/normal metabolism) may improve smoking
194 igarette, and the nicotine metabolite ratio (NMR) was used to identify participants as normal or slow
197 mall-angle x-ray scattering, high-resolution NMR spectroscopy, and limited proteolysis coupled with m
198 In this study, we report a high-resolution NMR structure of the G-rich element within the KRAS NHE.
199 ymatic assay and nuclear magnetic resonance (NMR) analysis demonstrated that EYA1 has a striking conf
200 ed data and (1)H nuclear magnetic resonance (NMR) fingerprints, obtained on mono-cultivar olive oils
203 Using them as nuclear magnetic resonance (NMR) sensitive nanoprobes adds another dimension for NMR
204 ation content of nuclear magnetic resonance (NMR) spectra is routinely used to identify and character
205 id-state (77) Se nuclear magnetic resonance (NMR) spectroscopic study of the chain and ring crystalli
207 onal solid-state nuclear magnetic resonance (NMR) spectroscopy, we show that mineral deposition is bi
208 In this study, nuclear magnetic resonance (NMR) spectroscopy-based metabolomic analysis was used to
211 convenient (17)O nuclear magnetic resonance (NMR) strategy to distinguish oxide nanocrystals exposing
213 emonstrate using nuclear magnetic resonance (NMR)-based relaxation dispersion that the D2 domain of p
214 rature, rapid injection NMR spectroscopy (RI-NMR), kinetic studies, and computational analysis has en
215 ns are characterized by their unique (77) Se NMR signatures and 2) the structure of amorphous Se cons
217 s molten globule characteristics with severe NMR line broadening until the final hydrogen bonds are f
218 A variety of spectroscopic methods ((119)Sn-NMR, magnetic circular dichroism (MCD), electron paramag
221 will increase the applicability of solution NMR methods to the characterization of nanomaterials.
226 1)H Nuclear Magnetic Resonance spectroscopy (NMR) and Gas Chromatography - Mass Spectrometery (GC-MS)
227 1)P nuclear magnetic resonance spectroscopy (NMR) has greatly advanced our understanding of the compo
228 l NV-based sensor device records single-spin NMR spectra with 13 Hz resolution at room temperature.Di
229 ine and high resolution magic angle spinning NMR as well as with fluorescence correlation spectroscop
230 e (13)C cross-polarized magic angle spinning NMR reveals that solid heptacene has a half-life time of
231 d model membranes using magic angle spinning NMR to measure these interactions through both (1)H nucl
233 ium carbamates, we observe using solid state NMR that the major chemisorption product for this materi
240 ters microsecond dynamics, using solid-state NMR measurements and multi-microsecond MD simulations of
241 n amorphous silica surface using solid-state NMR measurements, enabled through a dynamic nuclear pola
242 Furthermore, (31)P and (2)H solid-state NMR spectra show that liquid crystalline 1,2-dimyristoyl
243 ted by variable-temperature (2)H solid-state NMR spectroscopy to reveal the reorientation mechanisms
244 single- and double-quantum (1)H solid-state NMR spectroscopy with density functional theory calculat
245 T calculations, IR spectroscopy, solid-state NMR spectroscopy, and analysis of the Cambridge Structur
247 To tackle this question, we used solid-state NMR strategies providing assignments of non-seeded three
248 hydrogen-deuterium exchange and solid-state NMR studies map the beta-forming region to a 25-residue
250 trates the power of DNP-enhanced solid-state NMR to bridge the gap between functional and structural
252 es X-ray crystallographic and solution-state NMR studies of peptides derived from residues 11-17 of I
255 ined by saturation transfer difference (STD)-NMR and X-ray crystallography using oligosaccharides obt
257 hannel operation of a microfluidic stripline NMR setup showing one- and two-dimensional (1)H, (13)C a
259 prepared and studied by variable temperature NMR spectroscopy leading to the conclusion that the rate
265 GnRH cross-talk are largely conserved in the NMR brain, with the exception of the unique presence of
267 observed from chemical shift changes in the NMR spectra of residues in the helices and on the surfac
268 isolate was proved by the comparison of the NMR and circular dichroism spectra and of the specific o
275 ale, while tumbling was slow or close to the NMR time scale depending on the position and stereochemi
277 xternally hyperpolarized compound, real-time NMR enables the measurement of metabolic flux in the cor
278 l of dark-state exchange saturation transfer NMR in mapping the interactions between amyloid-inhibito
280 tudies using analytical ultracentrifugation, NMR, and small-angle x-ray scattering on full-length Col
286 zed the acid-induced unfolding of HdeA using NMR spectroscopy and fluorescence measurements, and obta
287 ments together with molecular modeling using NMR chemical shifts suggest that new interactions involv
290 relationship may also be valuable when using NMR diffusion measurements to restrain molecular simulat
293 triples reduce telomerase activity in vitro NMR studies also reveal that the pseudoknot does not for
299 ch Python programs can read, edit, and write NMR-STAR formatted files and their equivalent JSONized N
300 Here, we utilize comparative S672R versus WT NMR analyses to show that the S672R mutation results in
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