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1 sotopomer that shifts to 580.2794 in the 18O-isotopomer.
2 es C, indicating no isomerization to another isotopomer.
3 , which shifts to 672 cm(-1) in the Mn-(18)O isotopomer.
4 as determined for the Tc((16)O)(3)((17)O)(-) isotopomer.
5 is-3-3,4-d(2)) in 64% yield as the exclusive isotopomer.
6 of amino acids containing a pure (13)CHD(2) isotopomer.
7 topomer, and a zero-(2)H-exchanged/two-(13)C isotopomer.
8 ative amount of labelling in a predetermined isotopomer.
9 bly selective, affording only the axial-d(1) isotopomers.
10 ere obtained from the results with the three isotopomers.
11 lcohol and its benzylic mono- and dideuterio isotopomers.
12 n is that between the d3-methyl enantiomeric isotopomers.
13 aterial and to determine abundances of these isotopomers.
14 e (5'S)-[5'-(2)H(1)]- and (5'R)-[5'-(2)H(1)]-isotopomers.
15 ponding spectra of the mu-O(2)(13)C(13)CO(2) isotopomers.
16 ulations of (13)CHD(2) and (13)CH(2)D methyl isotopomers.
17 to the distinct spectroscopic signatures of isotopomers.
18 tivity of enzymes for the heavier or lighter isotopomers.
19 the position specific labeling of subsets of isotopomers.
20 arrageenan gels and the prochiral and chiral isotopomers.
21 tains experimental MS/MS data on hundreds of isotopomers.
22 l peak magnitudes of the deuterium-exchanged isotopomers.
24 , (190)Os, and (188)Os) and three unique 13C isotopomers (13C in ethylene, axial, and equatorial posi
26 red rotational constants for the main osmium isotopomer ((192)Os) are A = 929.3256(6), B = 755.1707(3
27 (both isotopomers, ca. 100%) and C12 (minor isotopomer, 30-35%), that is, an approximately 2:1 mixtu
28 owed observation of transitions for the four isotopomers (63)Cu(12)C(14)N, (65)Cu(12)C(14)N, (63)Cu(1
29 entadiyne (6a), along with both monodeuterio isotopomers 6b and 6c, has been synthesized via a route
30 , an A + 2 peak is comprised of (among other isotopomers) a two-(2)H-exchanged/zero-(13)C isotopomer,
31 isotopomers) a two-(2)H-exchanged/zero-(13)C isotopomer, a one-(2)H-exchanged/one-(13)C isotopomer, a
32 lent agreement between measured and expected isotopomer abundances for the different NMR experiments,
33 asuring protein kinetics by quantifying mass isotopomer abundances of mid-sized peptides from protein
34 pectrometric methods to those extracts, mass isotopomer abundances of seven major organic acids were
35 sotope ratios (i.e., less dependence of mass isotopomer abundances on the amount of material injected
42 with 13C-labeled substrates using 13C/1H-NMR isotopomer analysis after 30 minutes of low-flow ischemi
49 sitive mass spectrometry techniques for mass isotopomer analysis has extended the reach of metabolic
55 enome annotation and the transcript profile, isotopomer analysis of key metabolites clarifies ambigui
56 ucted a study coupling metabolomics and mass isotopomer analysis of liver gluconeogenesis and citric
60 erpolarized (13)C NMR spectroscopy and (13)C isotopomer analysis provides quantitative insights into
61 bolites were then extracted and subjected to isotopomer analysis to determine relative rates of pathw
62 To examine this question, we applied 13C-isotopomer analysis to quantify flux through three anapl
63 ere, we combined (13)C hyperpolarization and isotopomer analysis to quantify multiple fates of pyruva
64 of 13C NMR spectroscopy makes application of isotopomer analysis to small tissue samples (mouse tissu
65 Here we used stable isotope labeling and isotopomer analysis to trace sterol flux through the two
68 inated from deacetylated APAP), through mass isotopomer analysis, accurate mass measurement, tandem m
69 of genetically modified animal models, mass isotopomer analysis, and metabolomics provides a powerfu
70 strate that FT-ICR MS is a powerful tool for isotopomer analysis, overcoming the problems with both G
75 MR method to measure the kinetics of lactate isotopomer and HDO production using a deuterated tracer.
76 1)H and (13)C relaxation rates of (13)CHD(2) isotopomers and (2)H (D) relaxation rates of (13)CH(2)D
77 eport separation of isotopic ions, including isotopomers and isobars, using ion mobility spectrometry
78 leucine and glucose for both highly enriched isotopomers and labeled isotopomers present in low abund
80 e isotopes but is blind to isotopic isomers (isotopomers) and, except at very high resolution, specie
81 C isotopomer, a one-(2)H-exchanged/one-(13)C isotopomer, and a zero-(2)H-exchanged/two-(13)C isotopom
82 verse datasets including genomic, proteomic, isotopomer, and DNA sequence variation are becoming avai
83 to detect 5-methyl-2'-deoxycytidine and its isotopomer, and ions of m/z 112 and 115 were used to det
86 g cytidylyl-(3',5')-cytidine phosphoramidite isotopomers as the common synthetic intermediates, with
88 C labeling of proteinogenic amino acids, and isotopomer balancing all indicated a large increase in t
90 This study provides the foundation to extend isotopomer-based flux analysis to study metabolism of in
92 ild-type (WT) and PGC-1alpha(-/-) mice using isotopomer-based NMR with complementary gene expression
93 on accurate and precise measurements of mass isotopomers by gas chromatography/mass spectrometry.
94 frared absorption spectra of five deuterated isotopomers, C(6)D(5), p-C(6)H(4)D, p-C(6)HD(4), o-C(6)H
95 tions (patchoulol numbering system) C5 (both isotopomers, ca. 100%) and C12 (minor isotopomer, 30-35%
99 s of [PO(3)](-)/or [H(2)PO(4)](-) ions, mass isotopomers can be quantified directly from the intensit
104 zene, where H-/D-isotopic labelling finds no isotopomer cross-over and the non-reactivity of a nitren
105 Powerful modeling frameworks balancing 'isotopomers', 'cumomers', or 'elementary modeling units'
108 umor metabolic fluxes from (13)C NMR kinetic isotopomer data has been developed and validated with pe
109 a novel LC-MS/MS workflow, acquisition, and isotopomer deconvolution method for MFA that takes advan
111 In vivo metabolism of (13)C-labeled glucose isotopomers demonstrates that C-3-C-6 of glucose become
112 ll result in a combinatorial distribution of isotopomers depending on the enrichment and number of "l
114 irst experimental observation of (14)N/(15)N isotopomers directly creating an asymmetric carbon.
116 agreed closely with models obtained by mass isotopomer distribution analysis (MIDA) and were consist
119 hesis rates compared to peptide centric mass isotopomer distribution analysis approaches when labelin
122 c tools were used to analyze changes in mass isotopomer distribution and changes in glucose and gluta
124 ionization to rapidly measure the amino acid isotopomer distribution in a biomass hydrolysate of the
125 rate to an organism and then determining the isotopomer distribution in amino acids in proteins.
126 sotopoic enrichment due to their low natural isotopomer distribution in negative chemical ionization
128 n of (15)N amino acids results in a new mass isotopomer distribution in protein, which is approximate
131 ngle highly expressed protein to analyze the isotopomer distribution of amino acids from one organism
132 beling measurements to quantify the complete isotopomer distribution of aspartate by least-squares re
133 thod for determining the complete positional isotopomer distribution of aspartate carbon atoms by gas
135 or [5-(13)C]glutamine and analyzed the mass isotopomer distribution of key metabolites using models
139 two companion articles, we compare the mass isotopomer distribution of metabolites of liver gluconeo
141 ometry assays for the concentration and mass isotopomer distribution of propionyl-CoA, methylmalonyl-
142 d EryI), a pathway fully consistent with the isotopomer distribution of the erythrose-4-phosphate-der
145 pe labeling experiments and analysis of mass isotopomer distributions (MID) of cellular metabolites i
146 based on the combinatorial analyses of mass isotopomer distributions (MIDs) of fatty acids and stero
147 scan types that maximizes the number of mass isotopomer distributions (MIDs) that can be acquired in
148 intracellular intermediate and cofactor mass isotopomer distributions (MIDs),1 it was found that a to
149 imulations, it was observed that carbon mass isotopomer distributions and measurement noise can be de
151 cids but higher signal for nucleotides, mass isotopomer distributions from sorted cells were generall
152 without any fitting parameters, of the mass isotopomer distributions of fatty acids from cells grown
154 o demonstrate this method, we determined the isotopomer distributions of samples of 13C-labeled leuci
156 ver, commonly used techniques to measure the isotopomer distributions require derivatization prior to
158 or inorganic phosphate and altered phosphate isotopomer distributions, consistent with increased phos
163 equations that describe the dynamics of mass isotopomers during metabolic labeling with an atom-based
164 uncertainty estimation have progressed, mass isotopomer dynamics during label incorporation has only
165 ed an accurate GC/MS measurement for the low isotopomer enrichment assay of formic acid, acetic acid,
169 imulated the expected abundance at each mass isotopomer for the GSNEM ion at various values for N, wa
172 h precision for isotopologue and tandem mass isotopomer fractions representing >10% of total abundanc
173 e identification of isotopologues as well as isotopomers from biological samples and provides a platf
175 oron quadrupole coupling strengths for three isotopomers, H(6)C(4)(11)B(14)N, H(6)C(4)(10)B(14)N, and
177 is- and trans-ethylene-d2 generates 1-hexene isotopomers having terminal CDH groups, with an isotope
178 ture of Iodoacetyl Tandem Mass Tag (iodoTMT) isotopomers (i.e., each having the same exact mass, but
179 e method accurately and precisely determined isotopomer identity and abundance in the labeled materia
183 users to combine MS/MS spectra from various isotopomers in different ratios to obtain a theoretical
184 mulation of the steady state distribution of isotopomers in intermediates of the glycolysis/OPPP netw
190 This approach enables rapid generation of isotopomers in which carbon and hydrogen can be replaced
191 etection of (2)H-(13)C isotopomeric isomers (isotopomers) in natural abundance (1.7 x 10(-4)%) both i
194 tabolite coverage, while also providing rich isotopomer information for a significant number of key m
195 biotechnological samples, while tandem mass isotopomer information is also accessible for a large nu
196 HOD in the jet reveal the formation of only isotopomers involving deuterium in the secondary hydroge
199 D exchange using D2, and that five different isotopomers/isotopologues of the sigma-alkane complex re
200 IV)(CH(3))(2)D (1-d(1)()) with its scrambled isotopomer, kappa(3)-Tp(Me)2Pt(IV)(CH(3))(CH(2)D)H (1-d(
203 A novel MS/MS-based analysis strategy using isotopomer labels, referred to as "tandem mass tags" (TM
207 methodology for flux determination from mass isotopomer measurements of biomass hydrolysates, while t
209 the samples were analyzed by ISA and the two-isotopomer method to determine whether each method could
211 sulin secretion, we have adapted 13C NMR and isotopomer methods to measure influx of metabolic fuels
216 l oxidation in humans, we applied positional isotopomer NMR tracer analysis (PINTA) to assess rates o
218 A doublet peak pattern for the (16)O(18)O isotopomer of 2 in mixed-isotope Raman experiments stron
219 s monitored by the appearance of a plasma M1 isotopomer of glucose, which is produced by the action o
221 IE) for the interconversion of the two chair isotopomers of 1-trideutero-1,3,3-trimethylcyclohexane w
222 titative evaluation of 13C distribution into isotopomers of 13C-labeled aldoses and ketoses, and the
226 crowave spectra of 10 isotopomers of 8 and 5 isotopomers of 9 were obtained using a pulsed nozzle Fou
229 insic spectra and relative abundances of all isotopomers of ergosterol whose carbon atoms in the 5,7-
231 articular, metabolic flux analysis uses mass isotopomers of metabolic products typically formed from
235 laser spectra have been compiled for several isotopomers of small (dimer through hexamer) water clust
237 R data are reported for the (15)N and (64)Ni isotopomers of the cofactor, both in the intact enzyme a
240 developed protocol is suited to measure mass isotopomers of these alpha-keto acids in tracer studies
241 C]glucose to [(13)C]acetyl-CoA and M2 and M4 isotopomers of tricarboxylic acid (TCA) cycle intermedia
243 amolecular deuterium distribution (deuterium isotopomers) of photosynthetic C3 glucose contains a sig
244 H- and (13)C-substituted 2-deoxyribofuranose isotopomer on which to investigate this potential effect
245 ion of perhydrido and perdeutero cycloalkane isotopomers on the hexagonally close-packed Ru(001) and
246 ion framework for designing a set of protein isotopomers, or labeling schedules, to reduce the conges
247 the single carbon source, in order that the isotopomer pattern of all metabolites would mirror the l
248 calculated by combinatorial analysis of mass isotopomer patterns in peptides correlate very closely w
252 brated back to the imide A-py slowly, as the isotopomer (PNP)Sc(ND[DIPP])(eta(2)-NC(5)H(4)) (2-d(1))
253 both highly enriched isotopomers and labeled isotopomers present in low abundance against a natural i
254 , Rb(+), NH(4)(+)), and produced mixtures of isotopomers, ranging from singly exchanged H(1)D(5)- to
255 predicted, the less thermodynamically stable isotopomer rearranges at cryogenic temperatures in the d
256 revious HDX MS methods did not resolve these isotopomers, requiring a natural-abundance-only (before
258 nt evidence from enzyme activity assays, the isotopomer results from both gas chromatography-mass spe
260 o those of the para-aminobenzoic acid (pABA) isotopomers; second, substituting an NH2 solid phase ext
261 of the 1((15)N) (50% Fe identical with(15)N) isotopomer shows a resonance at 1016 ppm (vs externally
264 + 2 profile example above, deconvolving the isotopomer species resulting from deuterium incorporatio
267 isotopomer distribution analysis (MIDA) and isotopomer spectral analysis (ISA) represent such method
268 imates of fractional synthesis calculated by isotopomer spectral analysis (ISA), a nonlinear regressi
269 l was decreased by progestins as measured by isotopomer spectral analysis, whereas newly synthesized
272 over the range 10-45 degrees C for the three isotopomers Tc((16)O)(4)(-), Tc((16)O)(3)((18)O)(-), and
273 strong ion at an m/z of 576.2703 for the 16O-isotopomer that shifts to 580.2794 in the 18O-isotopomer
274 olyzed biomass and increases the coverage of isotopomers that can be quantified, making it a promisin
275 ntly consisting of highly and fully labelled isotopomers; the total plant material contained more tha
276 was made along with its doubly (15)N-labeled isotopomer to explore bonding interactions at each imida
277 o-2'-deoxyuridine 5'-diphosphate provides an isotopomer to perturb EPR spectra in a predictable manne
278 the R132H-isobolome by using targeted (13)C isotopomer tracer fate analysis to trace the metabolic f
281 oisotopic mobilities being observed for some isotopomers (up to a ~0.04% difference in mobility).
283 port on separations of ion isotopologues and isotopomers using ultrahigh-resolution traveling wave-ba
284 ial to represent any and all combinations of isotopomer variations of that material and to determine
285 of the labeled siderophore, analysis of the isotopomers was conducted via one-dimensional (1)H and (
288 e tracer, [1, 2-13C(2)]glucose (a M2 glucose isotopomer), was administered at 1mg/g body weight to 4-
291 s, monodeuterated 1,5-dimethylsemibullvalene isotopomers were prepared and investigated by IR spectro
295 typically involve measurements on (13)CHD(2) isotopomers, where the (13)C relaxation mechanism is par
296 population of the desired (13)CHD(2) methyl isotopomer, which is ideal for (1)H and (13)C spin relax
297 ange of trans beta-carotene (tbeta-carotene) isotopomers with a peak enrichment at molecular mass plu
298 s are able to monitor O(2) and CO(2) and its isotopomers with excellent sensitivity and time resoluti
299 oacetyl derivatives of ethyl-esterified pABA isotopomers with heptafluorobutyl derivatives, which are
300 ow here that fragmentation of glutamate mass isotopomers yields additional mass spectral data that si