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1 constants are obtained from in situ infrared spectra.
2 al particles' environment on the recorded IR spectra.
3 is absorption spectra, and photoluminescence spectra.
4 s metabolites as they have the same emission spectra.
5 negative ion mode to obtain glycolipid mass spectra.
6 antly affects viral mutation frequencies and spectra.
7 ysis of the time-domain Brillouin scattering spectra.
8 gnal generation is inherently encoded in the spectra.
9 significantly improve localization in AI-ETD spectra.
10 o generate a ratiometric signal with varying spectra.
11 the role these isomers might play in the IR spectra.
12 riation across the common- and low-frequency spectra.
13 ctra are lower than those of the original FT spectra.
14 images, quantitative color changes, and mass spectra.
15 the experimental two-dimensional electronic spectra.
16 times, isotopic patterns, full MS, and MS/MS spectra.
17 sotropy, fluorescence lifetime, and emission spectra.
18 tetra- and pentamer, revealed from their IR spectra.
19 e sequences read directly from the resulting spectra.
20 iently been obtained and characterized by CD spectra.
21 been assigned using TD-DFT simulation of ECD spectra.
22 o applicable to first- and higher-order (1)H spectra.
23 tion (MALDI), while producing higher quality spectra.
24 to avoid the congestion inherent to protein spectra.
25 red significant variance in the fluorescence spectra.
26 o quantify proteoforms across multiple MS(1) spectra.
27 process, could be monitored through the NMR spectra.
28 s to the commonly observed smooth generation spectra.
29 diatropic and produced porphyrin-like UV-vis spectra.
30 nce to a nontrivial topology of gapped Dirac spectra.
31 rochemistry, and variable-temperature UV-Vis spectra.
32 lico and compare these to experimental MS/MS spectra.
33 ent light angles, resulting in a Mie scatter spectra.
34 MS(2) acquisition using bordering full-scan spectra.
35 was achieved based on the recorded (1)H NMR spectra.
36 ns showed quenching behavior in the emission spectra.
37 ly measure high-resolution linear absorption spectra.
38 r descriptors of a drug, and terahertz (THz) spectra.
39 ngs, indicated by Mo K-edge X-ray absorption spectra.
40 ), 2D-IR, and vibrational circular dichroism spectra.
41 etabolites could be identified by their HRMS spectra.
42 to directly compare unidentified tandem mass spectra.
43 m, resulting in a closer resemblance to bulk spectra.
44 rise to changes in the luminescence and NMR spectra.
45 y noise dropped close to zero with the first spectra acquired 7 minutes after introduction of the ant
46 iscovered by accurate mass and comparing MS2 spectra (acquired in ddMS2 mode) with spectral libraries
50 that can be overlapped with reference XANES spectra, allowing this method to be used for fingerprint
54 ences exist in mutation rate and/or mutation spectra among HIV types (i.e., HIV-1 versus HIV-2) and a
55 friction, and the nanoscale current-voltage spectra analysis indicates that the rectifying Schottky
56 intensification of absorbance peaks in FTIR spectra and a systematic change in shape and intensity o
57 hexamer through the analysis of vibrational spectra and appropriate structural order parameters as a
60 peptide sequencing algorithms annotate MS/MS spectra and deduce peptide/protein information without a
61 sents the first electronically resonant DOVE spectra and demonstrates the capabilities for analytical
62 ul tool for increasing charge states in mass spectra and generating unfolded ion structures, yet key
68 exceeds that of PEAKS and PepNovo on the CID spectra and that of UVnovo on CID or UVPD spectra alone.
69 he overlap of paper and fluorophore emission spectra and the fluorescence intensity on an imaging sys
71 ectra correlate with experimental absorption spectra and the vibrational modes of calculated absorpti
72 ional properties such as fast neutron energy spectra and time-dependent neutron count rates were attr
74 oach that simulates (13) C multiplets in NMR spectra and utilizes mass increments to obtain long-rang
77 of transport in aperiodic media with fractal spectra, and additionally demonstrate logarithmic sub-di
83 tions, and the noise levels in the resulting spectra are lower than those of the original FT spectra.
90 ns appear in cross-polarized two-dimensional spectra as distinct resonances with respective approxima
91 st-squares (MCR-ALS) was applied to the UVRR spectra, as well as off-line HPLC measurements, to enabl
92 oelectron data, which shows depletion in the spectra assigned to (HCOO(-))(H2SO4), and has also been
95 early receptor current amplitude and action spectra between WT and the Opn4-expressing Drosophila fu
96 R programming language, corrects the raw MS spectra both for the naturally occurring isotopes and fo
98 ation method was developed to analyze the IR spectra by novel pattern-recognition and statistical too
101 r dissolving the silica matrix, the (1)H NMR spectra can be resolved for every single component of th
103 The consequent isotopic envelopes in mass spectra can reveal the ion stoichiometry but not geometr
104 n accurately reproduce the full Chl emission spectra - capturing the spectral dynamics associated wit
105 stematically compared to the FTIR absorption spectra collected for kerogen samples isolated from Manc
106 z- to terahertz-frequency infrared and Raman spectra contain a wealth of information concerning the s
107 tion and multipeaked fluorescence excitation spectra correlate with experimental absorption spectra a
110 t they possess different melting points, NMR spectra, crystal structures, and stacking patterns in th
112 magnetic susceptibility data, and Mossbauer spectra demonstrate that 1 has a low-spin (S = 1/2) ferr
114 Structural changes observed in the Raman spectra during permeabilization indicated acyl chain dis
115 ed on the in situ-obtained UV/Vis absorption spectra during the reaction, we propose two different ex
116 ted (GC x GC/MS), allowing high-quality mass spectra (EI) to be obtained for the individual compounds
117 parallel factor analysis of the fluorescence spectra enabled monitoring of multiple types of organic
119 sical attributes including narrower emission spectra, excimer -based white emission, and thermally ac
122 esults show that extensive sampling of force spectra, facilitated by robot-enhanced AFM, can help rev
124 (EThcD) provides exceptional data-rich MS/MS spectra for direct and unambiguous pyrophosphosite assig
125 functional theory calculations of the X-ray spectra for the excited electronic singlet and triplet s
130 ate signature in the electron kinetic energy spectra from mixed Xe core - Ar shell clusters ionized b
134 mplete overlapping of random and aligned RBS spectra from the sample with T g = 700 degrees C indicat
136 Binding gave quantifiable changes in the EPR spectra from which binding profiles could be obtained th
138 or acquisition of high-resolution mutational spectra (HRMS) during the process of hepatocarcinogenesi
140 observations of iPTF14hls, an event that has spectra identical to a hydrogen-rich core-collapse super
141 o split in differential ion mobility (FAIMS) spectra in a manner dependent on the ion geometry and bu
142 This enables us to observe high-resolution spectra in a single ion (CaH(+)) and coherent phenomena
151 The analysis of numerically modeled Dol mass spectra is a novel method to follow modulation of the co
152 content of nuclear magnetic resonance (NMR) spectra is routinely used to identify and characterize m
153 e 3D concentration maps based on vibrational spectra, label-free; however, when using any optical ima
154 tomated tool we designed for exhaustive mass spectra matching, the promiscuity of binding of cisplati
156 ton absorption bands in transient absorption spectra measured by our group for oligomers (1, 2, and 3
158 encing based on matched pairs of tandem mass spectra (MS/MS) obtained by collision induced dissociati
162 extends the scope of the library to include spectra of "nearest-neighbor" compounds that differ from
163 eap method based on the acquisition of FT-IR spectra of 3g/L hydroalcoholic tannin solutions, overcom
164 termolecular interactions on the vibrational spectra of a N-N'-bis(2,6-diisopropylphenyl)-perylene-3,
165 NOE-derived distance restraints, and the NMR spectra of a series of designed eta-helices were altoget
167 rs (10 Si atoms/molecule) dominated the mass spectra of aerosols at higher mass loadings, while ring-
170 exploration, increased thigmotaxis, abnormal spectra of basic behavioral activities, impaired muscle
171 ectra of the S2 state and flash-induced FTIR spectra of both D1-N87A and D1-N87D PSII core complexes
172 products display classical UV-vis electronic spectra of carbo-benzenes in solution (lambdamax = 445.5
173 lculation for the two-dimensional electronic spectra of Cholorobaculum tepidum which correctly descri
175 report the direct measurement of the energy spectra of electrons emitted from single layer graphene
176 his theory to study near-infrared absorption spectra of excitons in oligomers of the ubiquitous conju
179 hich have been used to interpret vibrational spectra of ionic liquids, helping the reader to distingu
181 In this study, mass specific absorption spectra of laboratory-generated smoldering wood particle
185 rier transform infrared (ATR-FTIR) and Raman spectra of non-extracted seed material have been recorde
186 recently been reported in understanding the spectra of particles with well-defined geometries, we re
188 tanding the origin of beating signals in the spectra of photosynthetic complexes has been given consi
190 erved from chemical shift changes in the NMR spectra of residues in the helices and on the surface of
191 pal component analysis applied to the UV-vis spectra of saffron aqueous extracts revealed a clear dif
194 However, these organisms exhibit rates and spectra of spontaneous mutations similar to MMR-bearing
195 e technique of single electron spectroscopy, spectra of states in CS2 and SF6 with a double hole in t
197 We were able to produce high-quality NMR spectra of substrate bound to microcrystalline LeuT samp
199 uired 4D (H)COCANH, (H)CACONH, and (H)CBCANH spectra of the 20 kDa bacteriophage tail-tube protein gp
200 inescence, as well as the visible excitation spectra of the 522 nm and 652 nm luminescence, of (A) Er
201 rption band intensity in diffuse reflectance spectra of the adsorbent, which was used for their direc
205 UV spectra and high resolution product ion spectra of the five compounds also supported their ident
206 Captured images and resulting absorbance spectra of the gold nanoparticle, glutathione, and amino
215 nded X-ray absorption fine structure (EXAFS) spectra of these As-bearing pyrites are explained by loc
218 d which allows normalisation of the emission spectra of these PTMs to the fluorescence intensity of T
219 ere, we show that the optical 2D photon echo spectra of this complex at ambient temperature in aqueou
221 ement between computational and experimental spectra of Ti K-edge, we identified key spectral feature
223 ence-UV spectra were obtained by subtracting spectra of unheated and denatured protein solutions at d
230 gmentation rules are combined with in silico spectra prediction programs CFM-ID and MS-FINDER to deri
232 cally learn from and interpret fragmentation spectra, provided a representative set of training data.
234 the goal of providing red-shifted absorption spectra relative to previously synthesized COE analogs.
235 s demonstrate that bacterial glycolipid mass spectra represent chemical barcodes that identify pathog
236 nounced features in their circular dichroism spectra resulting solely from topological chirality.
237 ed on the stiffest matrices, and fluctuation spectra reveal a high nuclear tension that matches trend
238 istical analysis of their observed DART-HRMS spectra revealed intraspecies similarities and interspec
240 (15)N heteronuclear single quantum coherence spectra reveals disruption of the tertiary contacts amon
241 experimentally measured N K-edge absorption spectra, reveals the different nature of the electronic
242 e to the scan duty cycle but generates MS/MS spectra rich in b/y-type and c/z(*)-type product ions.
243 Furthermore, (31)P and (2)H solid-state NMR spectra show that liquid crystalline 1,2-dimyristoyl-sn-
244 Both the experimental and calculated far-IR spectra showed a red shift of the low-frequency peaks up
245 her BRCA1 or BRCA2, and the arising mutation spectra showed strong and specific correlation with a mu
246 son of electrospray ionization (ESI) and LDI spectra showed that different types of compounds are ion
247 than iron.) We identify line features in the spectra that are consistent with light r-process element
249 tres) and featureless nature of fluorescence spectra that limits the number of resolvable colours to
250 ture and excitation power dependent emission spectra, thermal quenching ratios, fluorescence intensit
252 rement by relating the fit residual of noisy spectra to the standard deviation of the measured FRET e
255 among systematic sets of 2D NMR fingerprint spectra using the NISTmAb and illustrate how spectral va
256 utational simulation of the experimental EPR spectra, using a developed algorithm for J modulation in
257 low for the simultaneous acquisition of mass spectra via Fourier transform (FT) techniques (frequency
267 ied all isolates after appropriate reference spectra were created and added to commercial databases.
272 Five different parameters of difference-UV spectra were obtained by subtracting spectra of unheated
281 aromatic hydrocarbons, nicotine) in the mass spectra were used to assign PMF factors to biomass burni
283 laser pulses containing very broad frequency spectra where their amplitudes and phases are mutually c
285 d for generating 1.8-4.2 mum super broadband spectra, which can be used to seed both the signal of th
286 as an initial step, the calculation of their spectra, which has been inaccessible to most users due t
287 cies were used to create reference MALDI-TOF spectra, which were then used for the identification of
288 xchange leads to a blue-shift of the optical spectra, while maintaining the high photoluminescence qu
289 -based sensor device records single-spin NMR spectra with 13 Hz resolution at room temperature.Dissip
290 preparation (30min) and provided clear SERS spectra with characteristic Raman bands of histamine.
292 paring electronically resonant TRSF and DOVE spectra with each other and with infrared absorption and
293 within single cells and compare the temporal spectra with existing theoretical models to gain insight
296 rned sensor can be converted to fluorescence spectra with high signal-to-noise ratio and calibrated i
298 on the comparison of the observed transient spectra with the one obtained from an independently gene
299 ry methods reveals that single-particle mass spectra with weak sodium ion signals can be produced by
300 , all the zein preparations had similar FTIR spectra, with greater alpha-helical conformation, than t
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