ライフサイエンスコーパス: spectra

1 es, and search for complementary data across spectra.

2 result is confirmed by DFT-simulated UV-vis spectra.

3 t or even impossible for some regions in NMR spectra.

4 ndividual protein ions to generate true mass spectra.

5 ignments of z' ions in MALDI-ISD FT-ICR mass spectra.

6 plastic bag, provided no useful MALDI-TOF MS spectra.

7 an internal normalization standard for 2D-IR spectra.

8 e not equivalent in view of the protein FTIR spectra.

9 families can be identified from reflectance spectra.

10 ced with spatially resolved multidimensional spectra.

11 mage by analyzing a set of measured emission spectra.

12 f optoacoustic, absorbance, and fluorescence spectra.

13 and extended X-ray absorption fine structure spectra.

14 phthalocyanine monomer and dimer absorption spectra.

15 spin density matrix and thus predict the ESR spectra.

16 am package for this task using SNP frequency spectra.

17 nded X-ray absorption fine structure (EXAFS) spectra.

18 lts in line-broadening in magnetic resonance spectra.

19 m the fitted model of the measured impedance spectra.

20 belled peaks were identified using FT-ICR-MS spectra.

21 WGMs) contained in the cavity-enhanced Raman spectra.

22 arnitines, and 4 332 acylcarnitine consensus spectra.

23 antitative isotope signatures in tandem mass spectra.

24 be directly determined from all ion mobility spectra.

25 n by cross-modal recovery of auditory speech spectra.

26 nt-circuit modelling of full-range impedance spectra.

27 d comb systems is the broad coverage of comb spectra.

28 d 94.6% specificity for identifying diseased spectra.

29 e accompanied by a red shift of fluorescence spectra.

30 s in increased detection limits in the gamma spectra.

31 ved utilizing TMT reporter ions from HCD MS3 spectra.

32 gher charge states of proteins dominated the spectra.

33 ave, in general, a huge impact on electronic spectra.

34 e as high confidence matches between the two spectra.

35 or phenotypes with characteristic mutational spectra.

36 varieties and 4 locations based on (1)H NMR spectra.

37 pes captured much of the variance in natural spectra [2].

38 roscopy, to directly measure the orientation spectra (3D orientation plus "wobble") of lipophilic pro

39 ion with commercial libraries of over 24 000 spectra, 63% of the top 5 matches across all particles t

40 dean distance between vectors that represent spectra, a deep convolutional neural network is used.

41 Spatially resolved AFM-IR spectra acquired from individual liposomes confirmed the

42 SHACA-HSQC spectra acquired on IDPs provide uncompromised resolutio

43 ) imino (1)H NMR as well as by 2D HyperW NMR spectra acquired upon simultaneous injection of hyperpol

44 The spectra acquired using a spark discharge coupled to the

45 1 MHz), via interleaving comb-tooth-resolved spectra acquired with a highly-coherent broadband dual-f

46 ing changes in XRD and UV/Visible absorption spectra across a range of infiltration cycles.

47 only small regional variations in color and spectra across the surface, which suggests that Arrokoth

48 nent analysis (PCA), the riboflavin and NADH spectra allowed clear differentiation between sturgeon s

49 Clustering of reflectance spectra allowed materials at inaccessible heights to be

50 tion model regression vectors and new sample spectra allowing fully matrix matched samples to be iden

51 essed and had native-like circular dichroism spectra and 1D-NMR spectra typical of folded structures.

52 s associated with SGR bursts may have narrow spectra and characteristic frequencies outside the obser

53 ing computational tool for batch-fitting EPR spectra and cluster analysis of the chi(2) landscape in

54 used to decipher the dynamic changes in size spectra and composition of individual DOM samples from s

55 ra are shown to correspond with experimental spectra and could explain the molecular origins of their

56 Angle-resolved photoemission spectra and DFT calculations show that a degeneracy at t

57 conducted by collecting over 8400 absorption spectra and EEMs.

58 ed components were consistent with the Raman spectra and elution patterns of the samples, indicating

59 The evolutions for both emission spectra and hardness of molten zone were researched in t

60 o-noise ratios of the resulting protein mass spectra and hence the number of proteins detected.

61 odes supported even narrower lasing emission spectra and high nonlinearity in the input-output light-

62 ergy and the optically stimulated near field spectra and images of these modes are measured.

63 Solid-state NMR spectra and optimized structures obtained from van der W

64 PLS-DA was less sensitive to edge effects on spectra and poorly focused regions of particles.

65 VCD) spectroscopy, to automatically match IR spectra and provide a quantitative measure of the goodne

66 relationship between the surface absorption spectra and reactivity remains unexplored.

67 ns in protein top-down MALDI-ISD FT-ICR mass spectra and show why these distributions can deviate fro

68 Moreover, the spectra and signatures derived from yeast were detectabl

69 al experiments were in accordance with Raman spectra and surface roughness obtained by atomic force m

70 n between the vibrational circular dichroism spectra and the scanning transmission electron microscop

71 The result is a tool to visually compare two spectra, and downloadable peaks lists that can be used t

72 understanding are necessary for interpreting spectra, and progress in understanding corresponds to in

73 Collected spectra are also searchable and interpretable in both co

74 ysis area, in which pixels with similar mass spectra are assigned a similar color.

75 the case of high mass proteins (>30 kDa) the spectra are congested with overlapping isotope patterns

76 c analyses of deuterated congeners and MS(3) spectra are consistent with the proposed fragment ion st

77 pectra are sometimes nonconclusive, e.g., if spectra are extremely crowded, coupling patterns are not

78 , revealing that Nile red's (NR) orientation spectra are extremely sensitive to membrane chemical com

79 -018 isomers via SERS even when MS and MS(2) spectra are indistinguishable.

80 principles that govern the shape of SDSL ESR spectra are known, its precise relationship with protein

81 A major problem, however, is that proton NMR spectra are often extensively overlapped, so that in pra

82 dynamics simulations revealed that the x-ray spectra are sensitive to structural dynamics at the ioni

83 Computationally predicted infrared (IR) spectra are shown to correspond with experimental spectr

84 se the detectability and resolution of these spectra are significantly influenced by intracellular fa

85 tes in the selectivity filter, the predicted spectra are significantly redshifted relative to when io

86 However, NMR spectra are sometimes nonconclusive, e.g., if spectra ar

87 The measured electron and positron spectra are then used to reconstruct the spectrum of the

88 Additionally, UV-vis spectra are used to directly observe orbital mixing betw

89 rved intrinsic protein fluorescence emission spectra as a function of denaturant concentration.

90 (e-doping) modifies the SWCNTs' vibrational spectra as a function of their diameter, chirality, and

91 bons in vacuum yielded almost identical mass spectra as APCI involving atmospheric pressure condition

92 rbate/surface interactions and infrared (IR) spectra associated with activating adsorbate vibrational

93 The work further explains how the infrared spectra associated with this oxidation product change du

94 conductance and inelastic electron tunneling spectra at <|0.5 V| bias voltages.

95 lutions of 1 disclose entirely different EPR spectra at 10 K when prepared under N(2) versus Ar atmos

96 We probe complex optical spectra at high resolution over a broad span in almost c

97 However, acquiring vibrational absorption spectra at the single molecule level, a benchmark for bu

98 classifier indicates that the intensities of spectra at the wavelength of 414.234 (Fe I) nm and 396.0

99 m and 396.054 (Al I) nm, and the kurtosis of spectra at wavelength ranges of 484-490 nm and 508-518 n

100 ed subsamples closely resembled the bulk EEM spectra, attesting to the convincing comparability betwe

101 lassify single cells according to their mass spectra based on cell groups of interest (GOI), e.g., ne

102 not easy to obtain well-resolved in-cell NMR spectra because the detectability and resolution of thes

103 rning approach that can predict the complete spectra (both backbone and nonbackbone ions) directly fr

104 luminum demonstrates how intrinsic satellite spectra can be extracted from measured data using angula

105 Microsecond resolved spectra can be obtained with high spectral resolution an

106 sites, showing that high-quality (13)C-(1)H spectra can be recorded on 100 muM samples in a few minu

107 ate curve resolution (MCR) analysis of Raman spectra can be utilized to determine speciation as a fun

108 oligomerization, and additional tandem mass spectra can help to further obtain information on protei

109 Mass spectra can inform regarding protein sample purity and o

110 Ultrafast two-dimensional infrared (2D-IR) spectra can now be obtained in a matter of seconds, open

111 robial findings from primary specimens, mass spectra captured from cultured bacterial isolates, and l

112 , the shape and magnitude of MIR reflectance spectra changed markedly with development.

113 diversity-induced differences in stand-level spectra, chemistry and biomass.

114 the detectability and resolution of the NMR spectra clearly depended on the growth phase of the host

115 trus trees and compared their spectra to the spectra collected from healthy orange and grapefruit tre

116 (i) chemical reference libraries (e.g., mass spectra, collision cross section, and other measurable p

117 btained spatially resolved O-PTIR and AFM-IR spectra confirming the presence of peaks related to flut

118 for deconvolution of electrospray (ESI) mass spectra containing multiple charge states and potentiall

119 ty and resolution of the E. coli in-cell NMR spectra correlated with the soluble fraction amounts of

120 on spectrum recorded is de-convoluted to the spectra corresponding to each area allowing the simultan

121 OP-bread, determined according to their mass spectra, decomposed during baking and released free quer

122 e is that the elution time and fragmentation spectra depend considerably on the equipment used and ar

123 features of the electroencephalography power spectra derived from multivariate analysis, and spindle

124 c (-)-1 with nominal xestocyclamine, but the spectra differ from those of the authentic alkaloid.

125 metabolomics because of a lack of reference spectra, difficulties in sample preparation, and an abse

126 ons, exhaustive fitting against experimental spectra, error analysis and dipolar and chemical shift w

127 a significant conceptual advance, interface spectra establish how Lu-layer distortion selectively en

128 t resolution of the backbone H,N correlation spectra even in these low complexity sequences.

129 Raman spectra exhibit clear changes with pH due to changing sp

130 the presence of electric fields, ionisation spectra exhibit frequency shifts and the ionisation thre

131 We also show how spectra extracted from regions of interest identified by

132 a convenient measurement tool for collecting spectra for chemical identification.

133 an extensive database of segregation energy spectra for more than 250 metal-based binary alloys.

134 The Raman spectra for the compounds are diffuse, with a broad risi

135 The trained models were then tested on Raman spectra from 2 independent institutions, reaching accura

136 s found that the onset of the 77 K afterglow spectra from a TADF-emitter-doped film is not necessaril

137 we first developed decision rule sets using spectra from authentic standards and then tested the app

138 Simulation of EPR spectra from bulk oil demonstrated that mainly alkoxyl r

139 The obtained 7 slice spectra from each of the model samples (i.e., chicken th

140 The integrated EEM spectra from FlFFF size-fractionated subsamples closely

141 The ability to predict tandem mass (MS/MS) spectra from peptide sequences can significantly enhance

142 The average PIRL-MS spectra from spatially resolved images could be used for

143 Leaf reflectance spectra have been increasingly used to assess plant dive

144 Consequently, spectra have the potential to provide breakthrough asses

145 the large number of compounds present in the spectra hinders the productive analysis of large MSI dat

146 d utilizes weighted pure component reference spectra in a linear combination fitting procedure to rep

147 the data fusion between atomic and molecular spectra in order to characterize the differences between

148 ical spectrometer, able to deliver transient spectra in silico from first principles.

149 Specifically, transient vibrational spectra in the double-bond stretching region are recorde

150 s and developed a set of rules, derived from spectra in the NIST17 Tandem MS Library and those identi

151 , such classification did not exploit SPHARM spectra in their dynamics.

152 The variable-temperature (7) Li NMR spectra in THF confirm the presence of three types of Li

153 al and two-dimensional infrared spectroscopy spectra indicate that intermediate species are formed du

154 unt for <70% of total ion intensities in HCD spectra, indicating many intense ions are ignored by cur

155 ms from the deconvolution of experimental CD spectra into secondary structure features of the IDP ens

156 g NMR heteronuclear single-quantum coherence spectra, kinetics, biochemical assays, and MS analyses,

157 of machine learning to electrogram frequency spectra may accurately automate driver detection by MEM

158 amma-Fe(0)], appear in the X-ray diffraction spectra minutes after the addition of ferrihydrite to th

159 ive and qualitative analyses of fluorescence spectra, molecular docking and quantum-chemical calculat

160 (pLSA) is commonly applied to describe mass spectra (MS) images.

161 d collision- and electron-based dissociation spectra, O-Pair Search identifies O-glycopeptides via an

162 sponsible for the extremely dense rotational spectra observed, it was essential not only to locate se

163 The data and spectra obtained allowed us to gain further insight into

164 The NIR spectra obtained from individual seeds were used to buil

165 The absorption spectra obtained from these measurements agree with thos

166 In total, the spectra of 141 isolates of 17 bacteria have been used.

167 The electronic spectra of 2 and 3 possess intense long wave absorptions

168 (1D) (31)P NMR and 2D (1)H-(31)P HSQC-TOCSY spectra of 38 common phosphorus-containing metabolites t

169 We compare these results to the spectra of [Nd(pydtc)(4)](-) and of a Cm(III) mellitate

170 CT states in the external quantum efficiency spectra of a significant number of organic semiconductor

171 determined from angle-resolved photoemission spectra of a trilayer structure with one aligned and one

172 fluorescence emission and UV/Vis absorption spectra of a two-fold interpenetrated Hf MOF, linked by

173 PL spectra of anatase phase titania shows the peaks present

174 In a first step, Raman spectra of aqueous solutions are evaluated for the ident

175 xtural and color parameters and fluorescence spectra of aromatic amino acids and nucleic acids (AAA +

176 nization absorption lines in the ultraviolet spectra of background quasars lying near the LMC.

177 suggest that 'being feasible' constrains the spectra of behavioural and structural properties seen in

178 2D-IR spectra of blood serum samples supplemented with varying

179 We review oxygen K-edge X-ray absorption spectra of both molecules and solids.

180 Ion mobility spectra of citric acid (CA) are complex, and several pea

181 In our study, accurate infrared (IR) spectra of common organic molecules which contain functi

182 Absorption spectra of cyanine((+)).Br((-)) salts show a remarkable

183 It was not possible to obtain Raman spectra of dark chocolate due to the presence of fluores

184 Raman spectra of each cell type were then analyzed to retrieve

185 We identified exposure-specific mutation spectra of each compound through trinucleotide patterns

186 ethod enabled identification of the emission spectra of eosin (tetrabromine fluorescein) lake mixed w

187 n species contain sparse fluorine atoms, NMR spectra of fluorine-containing spin systems can be effic

188 Similar to UVPD mass spectra of GPL cations, UVPD of deprotonated or formate-

189 The normalized spectra of grape homogenates allowed a calibration and v

190 jective of this work was to measure infrared spectra of high explosive materials (HE) in wide spectra

191 cond evolution of the K-shell X-ray emission spectra of iron during high intensity illumination of X-

192 nce of plasma parameters on the product mass spectra of laser-ablated particles.

193 luable tool to both accurately reproduce the spectra of molecular systems and provide a rationalizati

194 Overlapping UV spectra of multiple species are deconvoluted using a new

195 to three subgroups according to histological spectra of NAFLD or fibrosis severity.

196 The circular dichroism spectra of OmpA in NDs and SUVs were similar and indicat

197 nature of molecular orbitals, the absorption spectra of organic semiconductors are not continuous lik

198 ion efficiency, and the resulting absorption spectra of photosynthetic organisms.

199 nguistic and cognitive tasks across the full spectra of PSA and PPA.

200 SERS spectra of pure NS1 protein as well as spiked in serum w

201 lect visible absorption and fluorescence EEM spectra of reacting solutions.

202 ed in the measurement of infrared absorption spectra of submicrometer objects.

203 nctional theory to investigate the radiation spectra of superdense iron-zinc plasma mixtures at mass

204 delay between sounds, directly comparing the spectra of temporally adjacent sounds, but transitioning

205 ave cavity to measure the face-dependent EPR spectra of the crystal, demonstrating that it has anisot

206 Quantitative Raman susceptibility spectra of the domains are provided alongside their spat

207 rincipal component analysis applied to power spectra of the LFPs near stimulus onset revealed a broad

208 e our algorithm with the measured reflection spectra of the modulator at different gate voltages.

209 We present spectra of the Nightingale crater region on near-Earth a

210 In this HT-LC-HRMS approach, raw spectra of the peaks eluting from the LC column during t

211 Double and triple ionisation spectra of the reactive molecule isocyanic acid (HNCO) h

212 UV absorption spectra of the studied polyhydroxy compounds have been r

213 lculations provided the predicted absorption spectra of the transients and nice linear correlations w

214 roducts, identified from the matrix infrared spectra of their -CN and -NC chromophore ligand stretchi

215 cquired Ca-L(2,3) X-ray absorption near-edge spectra of these Ca-rich particles.

216 FlFFF-derived size spectra of ultrafiltration-isolated colloidal DOM show t

217 ations and pitfalls in the interpretation of spectra of unknown oligosaccharides.

218 urine of subjects with T2DM and 62 (1)H NMR spectra of urine of control subjects.

219 ure; (ii) metabolites present in 62 (1)H NMR spectra of urine of subjects with T2DM and 62 (1)H NMR s

220 processing techniques for mid-infrared (MIR) spectra of wines and grape berry homogenates and tested

221 autofluorescence and background fluorescence spectra on a per-image basis.

222 ts of the dependence of 2D (13)C-(13)C ssNMR spectra on the time between mixing and freezing, we find

223 %, and similarity between pure and recovered spectra over 96% and 98% in models using pure flour and

224 s or with graphical analysis of the measured spectra over a wide frequency band.

225 The physical correlations between spectra, porosity formation, and thermal accumulation du

226 mation of the proportions of (i) the 78 pure spectra, presumably related to type 2 diabetes mellitus

227 ictions) even when it was tested against 650 spectra produced by 65 spectrometers with different conf

228 of a database containing many comparable NMR spectra produced by different spectrometers is crucial t

229 validate the approach in comparison to MS/MS spectra produced via data dependent acquisition (DDA) an

230 The simulated spectra proved to be in good agreement with the experime

231 The mass spectra provided by this work may be useful for clinical

232 that chemometric analysis of peanut leaflet spectra provides accurate identification of different va

233 scanning VCD instrument capable of acquiring spectra rapidly across all fingerprint region wavelength

234 fusion is a general technique that can fuse spectra recorded at different sampling rates, which can

235 ermining quantitative information from 2D-IR spectra recorded on different samples and different inst

236 levant features that differentiate the Raman spectra regarding their pH and concentration of lactate.

237 ropoietin with a total of 188 O-glycopeptide spectra reported under 1% FDR.

238 Ala RCs, our simulated absorption-difference spectra reproduce experimentally observed shifts in know

239 similarity below 0.75 and 0.70 for 2+ and 3+ spectra, respectively.

240 tures observed in both (27)Al and (71)Ga NMR spectra result from both the deviations in the polyhedra

241 Transient absorption spectra reveal the carrier migration from low n to high

242 lation spectroscopy analysis of the ATR-FTIR spectra revealed that higher initial BSA concentration a

243 more, synchrotron radiation-based micro-FTIR spectra revealed that surface oxygen groups corresponded

244 Synchronous fluorescence spectra revealed that the tryptophan residue microenviro

245 The FTIR spectra revealed the presence of aromatic amino acids de

246 The detailed spectroscopic analysis of the spectra reveals changes in the trion to excitation ratio

247 The analysis of the spectra reveals that these spectral features in part ori

248 pecific spectral signatures in the live cell spectra, SERS data were collected from a solution of bov

249 mages, or indeed the normalization of AFM-IR spectra, should be approached with caution in the presen

250 Raman spectra show lattice softening with increasing size of t

251 Surface-selective (133)Cs solid-state NMR spectra show the presence of an additional (133)Cs NMR s

252 which are visible in the MAS solid-state NMR spectra, show (13)Calpha chemical shifts that are highly

253 uares regression (PLSR) models based on full spectra showed higher precision (R(2) > 0.93) than those

254 nolenic acids were slightly changed and FTIR spectra showed minor variation in peak intensities of oi

255 XPS spectra showed the formation of TcS(x) at pH 10.00 +/- 0

256 ngly aromatic properties, and the proton NMR spectra showed the N-methyl resonances near -3 ppm.

257 nstead of simple similarity measures for two spectra, such as the dot product or the Euclidean distan

258 The CD spectra suggested that the secondary structure of the be

259 ix factorization applied to the organic mass spectra suggests that hydrocarbon-like organic aerosol (

260 nd more accurate approach for calculating CD spectra than its predecessor, PDB2CD (1).

261 , focusing on two additional features in the spectra that appear below the magnetic ordering temperat

262 rge exciton binding energies, and absorption spectra that are strongly influenced by the identity of

263 In such cases, having a pair of MS/MS spectra that differ due to an isotopic label can assist

264 the possibility of coprocessing multiple 2D spectra that have the signals at the same frequencies bu

265 erdin-binding serpins (BBS), have absorption spectra that mimic those of phytochromes and bacteriophy

266 capability of handling folded SNP frequency spectra (that is, when the ancestral alleles of the SNPs

267 plasma mirrors generate broadband power-law spectra, that may span the gap between petawatt-class in

268 nvoluted charge-distribution profile in mass spectra, the characterization of these polymers is highl

269 d by sensors continuously logging absorbance spectra, thereby challenging their applicability for mon

270 -field grown citrus trees and compared their spectra to the spectra collected from healthy orange and

271 By exploiting the sensitivity of Raman spectra to the structural configuration, we investigate

272 e-like circular dichroism spectra and 1D-NMR spectra typical of folded structures.

273 ority of protonated octamer observed in mass spectra under previous conditions is formed by clusterin

274 or below the detection threshold in the mass spectra until the solution's ionic strength is elevated

275 apex, similar to the data-reduced histogram spectra used in mass spectrometry.

276 quantification in high-resolution HCD MS/MS spectra via distinct reporter ions that differ in mass f

277 r shifting fringe pattern in the consecutive spectra was detected.

278 icroplastics and associated changes to Raman spectra, we present a spectral library of plastic partic

279 ic angle spinning nuclear magnetic resonance spectra were acquired from ex vivo glioma tissue (n = 16

280 1D (1)H nuclear magnetic resonance spectra were acquired in plasma samples from critically

281 Acylcarnitine tandem spectra were annotated with fragments from carnitine and

282 The time- and position-synchronized spectra were collected during the directed energy deposi

283 ce-enhanced second harmonic generation (SHG) spectra were collected from 4-dimethylaminobenzonitrile

284 MDS spectra were correlative with altered states in the cell

285 Eighteen features extracted from spectra were coupled with the deposition qualities which

286 NIR spectra were obtained in the wavenumber range 11100-4950

287 spectrometry and the resulting fragmentation spectra were processed via a commercial software for seq

288 Obtained spectra were subsequently evaluated using multivariate s

289 The resultant ETD and CID spectra were used for the identification of the intact g

290 s measurement of their laboratory rotational spectra, which are the critical data needed to search fo

291 n which a tunable light source generates two spectra with different excitation frequencies in order t

292 Between the APPI dopants, THF-doping yielded spectra with more aliphatic-like and N-containing compou

293 By comparing the measured electron energy spectra with particle-tracking simulations, we infer a m

294 to a validation analysis of a set of protein spectra with Protein Data Bank entries.

295 cle-calculation-derived optical conductivity spectra with the bandwidth-renormalization factors obtai

296 ison of both the fragment drift times and IR spectra with those of suitable reference compounds allow

297 By comparing experimental photoelectron spectra with time-dependent density functional theory si

298 averaged sound pressure waveforms, and power spectra within each acoustic event.

299 es the acquisition of local X-ray absorption spectra (XAS) on single particles of the electrode, such

300 pproach (MCR), to denoise 2D solid-state NMR spectra, yielding a substantial S/N ratio increase while