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1 n on metabolome coverage in untargeted LC-MS metabolomics.
2 a platform coupling targeted and untargeted metabolomics.
3 and a target-decoy FDR estimate for spatial metabolomics.
4 y (LC-MS)-based proteomics, peptidomics, and metabolomics.
5 s to very diverse scientific issues in plant metabolomics.
6 ntegration of genomics, transcriptomics, and metabolomics.
7 solvent composition for untargeted discovery metabolomics.
8 FLD patients using targeted metagenomics and metabolomics.
9 area spanning from synthetic applications to metabolomics.
10 tomatic sampling of MS/MS data in untargeted metabolomics.
11 sses, thereby recognizing building blocks of metabolomics.
12 nuclear magnetic resonance ((1)H NMR)-based metabolomics.
13 p mass spectrometers that are widely used in metabolomics.
14 y-mass spectrometry (LC-MS) based untargeted metabolomics.
15 drug discovery, environmental chemistry, and metabolomics.
16 iquid chromatography-mass spectrometry-based metabolomics.
17 y high-throughput nuclear magnetic resonance metabolomics.
18 tention to this data-processing technique in metabolomics.
19 as metatranscriptomics, metaproteomics, and metabolomics.
20 gration of time-course absolute quantitative metabolomics.
21 e of information, which is underexploited in metabolomics.
24 SSAGE: Exploration with high throughput leaf metabolomics along with functional genomics in wild toma
27 he outcome of transcriptomic, proteomic, and metabolomics analyses of genotypes including ceh1, a mut
29 be efficiently integrated into the NMR based metabolomics analyses routines: multivariate statistical
32 method for simultaneous proteomics and amine metabolomics analyses via nano reversed-phase liquid chr
33 s were determined by mass spectrometry-based metabolomics analyses, and mitochondrial function was an
35 of each 4-wk period in the fasting state for metabolomics analysis by using liquid chromatography-tan
42 romatography-mass spectrometry (LC-MS)-based metabolomics analysis of human biospecimens has become a
52 r metabolites in denitrifying bacteria using metabolomics and genome-based metabolic network modeling
56 spectrometry (IMS) has been used to support metabolomics and lipidomics applications to facilitate t
57 n MS (HDMS) System (Waters) specifically for metabolomics and lipidomics applications; extracting pol
59 addition of IMS to conventional LC-MS-based metabolomics and lipidomics workflows has been shown to
66 we review the common pitfalls encountered in metabolomics and provide concrete guidelines for obtaini
68 We reviewed recent literature on advances in metabolomics and their application to study pathways to
69 leaf RNA-seq gene expression analysis, LC-MS metabolomics and total phenolics assays in offspring pla
71 responses were evaluated using complementary metabolomics and transcriptomics approaches with the aim
72 t-AS), we used innovative techniques such as metabolomics and transcriptomics to comparatively examin
73 gies, including transcriptomics, proteomics, metabolomics, and fluxomics, for studying metabolism is
75 ing and high-resolution imaging, microbiome, metabolomics, and transcriptomics into future research e
77 e new SPME probes will properly suit various metabolomics applications that involve the use of both g
78 ronment on asthma development; (4) review of metabolomics applied to the outcome of asthma; (5) recom
80 f this genus, suggesting that our untargeted metabolomics approach can be potentially used as a model
83 trate the feasibility and effectiveness of a metabolomics approach in understanding the mechanism of
86 genic Naegleria in vitro using an untargeted metabolomics approach to identify a panel of diagnostica
87 omatography-time-of-flight-mass spectrometry metabolomics approach was applied to assess metabolic al
88 In this study, a large-scale comparative metabolomics approach was applied to investigate the eff
97 caling throughput and technical capacity for metabolomics approaches, bioinformatic and chemoinformat
101 r omics technologies, such as proteomics and metabolomics, are now often incorporated into the everyd
102 ratory assessment of a widely used, targeted metabolomics assay illustrating the reproducibility of t
105 thma; (5) recommendations for application of metabolomics-based -omics data integration in understand
111 , to support the development of plasma-based metabolomics biomarkers of AMD, and to identify novel ta
112 ults shown in this study are in the field of metabolomics but this method could be applicable with an
114 c pigments were not altered, indicating that metabolomics can be a rapid and sensitive tool for the d
115 xploring the role of dietary biomarkers with metabolomics can potentially facilitate objective dietar
116 mitochondrial disease progression including metabolomics, circulating serum markers, exercise physio
118 y of mass spectrometry-based global exposure metabolomics combined with tailored database queries and
122 To curtail technical noise and make GC/MS metabolomics data amenable to analyses describing biolog
124 This strategy permitted to investigate the metabolomics data and their relation with botanic and ge
125 quid or gas chromatography-mass spectrometry metabolomics data because they can translate downstream
126 ubmission to the MetaboLights repository for metabolomics data currently places the burden of reporti
128 ely suited to normalizing non-targeted GC/MS metabolomics data due to explicit accommodation of batch
130 Oat1KO and Oat3KO, as well as newly obtained metabolomics data from a "chemical double" knockout (Oat
135 Multivariate statistical analysis of the metabolomics data revealed that the same metabolic netwo
137 emonstrate ChemRICH's efficiency on a public metabolomics data set discerning the development of type
138 es, we applied MetaboDIA to a clinical serum metabolomics data set, where we built a DDA-based spectr
139 Data Dependent Acquisition (DDA)-based MS(2) metabolomics data sets derived from three metabolomics d
141 ge scale analysis of mass spectrometry based metabolomics data that has been essential in the advance
142 processing of both centroid and profile mode metabolomics data that relies on an intensity-weighted b
143 emoinformatic tools for handling large-scale metabolomics data, methods for elucidating the biochemic
150 sweat is an excellent biofluid candidate for metabolomics due to its noninvasive sample collection an
151 ins (e.g. dynamic proteomics) in addition to metabolomics (e.g. fluxomics) to seek molecular underpin
154 Here, we extend MS2LDA to handle multiple metabolomics experiments in one analysis, resulting in M
159 sturbed pathways are similar to our previous metabolomics findings in a longitudinal cohort of adult
161 study was to evaluate the utility of urinary metabolomics for early noninvasive detection of AMR in p
162 focus on applications of magnetic resonance metabolomics for quantifying circulating biomarkers in l
163 re surveyed, as well as the use of NMR-based metabolomics for the search of potential surrogate bioma
164 omic analysis in skeletal muscle, and plasma metabolomics from subjects with classical and early-onse
168 umber of investigations based on nontargeted metabolomics has increased, although often without a tho
169 in bioinformatics, genomics, proteomics, and metabolomics have facilitated the development of novel a
170 nnotated using xMSannotator in an untargeted metabolomics human data set shows that 80% of features w
176 olome represents an important application of metabolomics in the general area of nutritional research
177 ere quantified by nuclear magnetic resonance metabolomics in the population-based Young Finns Study f
181 In this context, untargeted and targeted metabolomics indicated an intracellular reduction of alp
183 tion impact infant metabolism, and show that metabolomics is a powerful tool to help with development
186 ication of existing normalization methods to metabolomics is challenged by unsatisfied modeling assum
187 A critical question facing the field of metabolomics is whether data obtained from different cen
188 pigenomics, transcriptomics, proteomics, and metabolomics, is now making it possible to address the c
190 s spectrometry (LC/MS) to perform untargeted metabolomics, it is now routine to detect tens of thousa
191 cal lipopolysaccharide (LPS) measurement and metabolomics (linear trap quadrupole-Fourier transform m
193 ining transcriptomics, phosphoproteomics and metabolomics measurements across a comprehensive panel o
198 of this review is to provide an overview of metabolomics methods and their application to understand
200 mass spectrometry (LC-HRMS)-based untargeted metabolomics methods including metabolite detection, ann
202 e metabolites in diverse biological systems, metabolomics now offers the potential for new insights i
207 teomes, cellular transcriptomes and targeted metabolomics of five knockout mouse strains deficient in
209 oRNAs, genomics, peptidomics, proteomics and metabolomics) of CKD and related disorders by performing
212 ected metabolism perturbations, we performed metabolomics on mice serum obtained during a window-of-d
214 ing to the type of stopper, providing a wine metabolomics picture of the impact of distinct stopping
222 ciated with a modulation of the host urinary metabolomics profile and intestinal energy absorption.
223 metabolomics approach to discern the global metabolomics profile impacted by Merlin in breast cancer
224 unsupervised clustering was done with plasma metabolomics profiles from a case-control subset of 245
225 of free-living subjects.We aimed to examine metabolomics profiles in response to 3 diets that differ
228 of in utero vitamin D exposure on children's metabolomics profiles.First, unsupervised clustering was
229 metagenome-wide association study and serum metabolomics profiling in a cohort of lean and obese, yo
230 mics sequencing, and mass spectrometry-based metabolomics profiling in a mouse model to examine the f
236 romatography-mass spectrometry (LC-MS)-based metabolomics, quality control (QC), molecular identifica
237 2D NMR spectroscopy to diagnostic screening, metabolomics, quality control, and other high-throughput
238 st rapidly depleted biotinylated protein and metabolomics revealed a broad metabolic shift in wild ty
240 any changes in the physiology of the cells, metabolomics revealed the fluctuating state of the metab
242 chanism of KJT by UPLC-QTOF/MS-based urinary metabolomics showed that 5 metabolic pathways were modul
246 hogonal datasets, such as transcriptomic and metabolomics signatures, cell populations, and cytokine
248 were identified to level 1 according to the metabolomics standard initiative and confirmed by both R
251 periments, we report a validated nontargeted metabolomics strategy with pipeline for unequivocal iden
255 ese two objectives but are not often used in metabolomics studies, because they are less robust or un
256 to be altered in dengue patients in previous metabolomics studies, indicating that humanized mice cou
259 ers related to cigarette smoke exposure.This metabolomics study shows a cross-sectional association b
262 omarkers identified by the previous targeted metabolomics study were found in the current work, in ad
265 d the discovery of biomarkers; (2) choice of metabolomics techniques, biospecimen handling, and data
267 ropose an alternative approach to untargeted metabolomics that relies on thoroughly annotated referen
268 de in addressing these challenges will allow metabolomics the potential to substantially affect diagn
269 llel evidence (i.e., genomic reconstruction, metabolomics, thermodynamic analyses, and calculation of
270 ty of GC-MS and its increasing popularity in metabolomics, this method will promote the identificatio
273 ered mouse models of glioma and quantitative metabolomics to investigate IDH1(R132H)-dependent metabo
275 tiomic analyses demonstrate the potential of metabolomics to predict bronchiolitis severity and bette
276 metry have been extensively applied to plant metabolomics to very diverse scientific issues in plant
278 p in our knowledge, we performed comparative metabolomics, transcriptomics, proteomics, and (13)C-lab
279 thod for high-coverage quantitative cellular metabolomics using a starting material of 10000 cells.
280 Samples, previously analyzed by targeted metabolomics using completely different protocol, analyt
284 matography high-resolution mass spectrometry metabolomics was used to evaluate broadly the similariti
285 or growth and mineralization, physiology and metabolomics, we demonstrate that the sensitivity of pop
286 oxymethylation with comprehensive untargeted metabolomics, we identified novel alterations in purine
287 eted liquid chromatography/mass spectrometry metabolomics, we quantified 130 plasma metabolites every
288 logy, structural biology, and activity-based metabolomics, we report that CLYBL operates as a citrama
289 As an important alternative to serum/plasma metabolomics, we show here that a simple (1)H NMR experi
290 In this work, procedures used in NMR-based metabolomics were applied to a GHB clinical trial on uri
292 ical diversity of the metabolome, untargeted metabolomics will inevitably discriminate against certai
293 rough combination of stable isotope-assisted metabolomics with functional assays, we demonstrate that
294 ines a sample treatment strategy coming from metabolomics with liquid chromatography analysis using a
295 LC-MS is a robust analytical tool for sweat metabolomics with potential applications including daily
296 rophysiology, in vivo electrophysiology, and metabolomics-with the most prominent hyperactivity occur
297 ies and uploaded raw and results data to the Metabolomics Workbench website ( www.metabolomicsworkben
299 uid chromatography-mass spectrometry (LC-MS) metabolomics workflow, such as metabolite extraction, th
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