Abstract:
:Gas chromatography-mass spectrometry (GC-MS) platforms are typically run in electron ionization (EI) mode for mass spectral matching and metabolite annotation. With the advent of high resolution mass spectrometry (HRMS), soft ionization techniques such as chemical ionization (CI) may provide additional coverage for compound identification. We evaluated NIST SRM 1950 pooled plasma reference sample using a HRGC-MS instrument [GC-Orbitrap-MS with electron ionization (EI), positive chemical ionization (PCI), and negative CI (NCI) capabilities] for metabolite annotation and quantification to assess the suitability of the platform for routine discovery metabolomics. Using both open source and vendor workflows, we validated the spectral matches with an in-house spectral library (Wake Forest CPM GC-MS spectral and retention time libraries) of EI-MS and CI-MS/MS spectra obtained from chemical standards. We confidently [metabolomics standards initiative (MSI) confidence level 2] identified 263, 93, and 65 metabolites using EI, PCI, and NCI modes, respectively, of which 270 metabolites (64%) were validated using our Wake Forest CPM GC-MS spectral libraries. When compared to published LC-MS-based efforts using the same NIST SRM 1950 plasma sample, there was only 17% overlap between the two platforms. In addition, the metabolomics analysis of community approved standard human plasma demonstrated the ability of EI- and CI-MS modes of analysis using a HRGC-MS platform to enable reproducible and interoperable spectral matching.
journal_name
J Proteome Resjournal_title
Journal of proteome researchauthors
Misra BB,Olivier Mdoi
10.1021/acs.jproteome.9b00774subject
Has Abstractpub_date
2020-07-02 00:00:00pages
2717-2731issue
7eissn
1535-3893issn
1535-3907journal_volume
19pub_type
杂志文章abstract::Sulfur trafficking systems are multiprotein systems that synthesize sulfur-containing cofactors such as iron-sulfur clusters. The sulfur is derived enzymatically from cysteine and transferred between nucleophilic cysteine residues within proteins until incorporation into the relevant cofactor. As these systems are poo...
journal_title:Journal of proteome research
pub_type: 杂志文章
doi:10.1021/pr100920r
更新日期:2010-12-03 00:00:00
abstract::Complicating proteomic analysis of whole tissues is the obvious problem of cell heterogeneity in tissues, which often results in misleading or confusing molecular findings. Thus, the coupling of tissue microdissection for tumor cell enrichment with capillary isotachophoresis-based selective analyte concentration not o...
journal_title:Journal of proteome research
pub_type: 杂志文章
doi:10.1021/pr300303t
更新日期:2012-08-03 00:00:00
abstract::Breast cancer is a leading cancer in women and is considered to be the second-most common metastatic cancer following lung cancer. An estimated 10-16% of breast cancer patients are suffering from brain metastasis, and the diagnostic cases of breast cancer brain metastasis are increasing. Nevertheless, the mechanisms b...
journal_title:Journal of proteome research
pub_type: 杂志文章
doi:10.1021/acs.jproteome.9b00429
更新日期:2019-10-04 00:00:00
abstract::In this study we selected three breast cancer cell lines (SKBR3, SUM149 and SUM190) with different oncogene expression levels involved in ERBB2 and EGFR signaling pathways as a model system for the evaluation of selective integration of subsets of transcriptomic and proteomic data. We assessed the oncogene status with...
journal_title:Journal of proteome research
pub_type: 杂志文章
doi:10.1021/pr4001527
更新日期:2013-06-07 00:00:00
abstract::NMR ligand affinity screening is a powerful technique that is routinely used in drug discovery or functional genomics to directly detect protein-ligand binding events. Binding events can be identified by monitoring differences in the 1D (1)H NMR spectrum of a compound with and without protein. Although a single NMR sp...
journal_title:Journal of proteome research
pub_type: 杂志文章
doi:10.1021/acs.jproteome.6b00121
更新日期:2016-04-01 00:00:00
abstract::Oxidation generates multiple diverse post-translational modifications resulting in changes in protein structure and function associated with a wide range of diseases. Of these modifications, carbonylations have often been used as hallmarks of oxidative damage. However, accumulating evidence supports the hypothesis tha...
journal_title:Journal of proteome research
pub_type: 杂志文章
doi:10.1021/acs.jproteome.7b00330
更新日期:2017-11-03 00:00:00
abstract::Ovarian carcinoma is the most lethal gynecological malignancy in worldwide. The discovery of reliable marker for early detection of ovarian carcinoma is critical for increasing patient's survival because high mortality rate is associated with late diagnosis of this tumor. In the present study, we performed comparative...
journal_title:Journal of proteome research
pub_type: 杂志文章
doi:10.1021/pr900811x
更新日期:2010-01-01 00:00:00
abstract::MS-based de novo peptide sequencing has been improved remarkably with significant development of mass-spectrometry and computational approaches but still lacks quality-control methods. Here we proposed a novel algorithm pSite to evaluate the confidence of each amino acid rather than the full-length peptides obtained b...
journal_title:Journal of proteome research
pub_type: 杂志文章
doi:10.1021/acs.jproteome.7b00428
更新日期:2018-01-05 00:00:00
abstract::For the 2018 YPIC Challenge, contestants were invited to try to decipher two unknown English questions encoded by a synthetic protein expressed in Escherichia coli. In addition to deciphering the sentence, contestants were asked to determine the three-dimensional structure and detect any post-translation modifications...
journal_title:Journal of proteome research
pub_type: 杂志文章
doi:10.1021/acs.jproteome.9b00384
更新日期:2019-11-01 00:00:00
abstract::A popular method for peptide quantification relies on isobaric labeling such as tandem mass tags (TMT), which enables multiplexed proteome analyses. Quantification is achieved by reporter ions generated by fragmentation in a tandem mass spectrometer. However, with higher degrees of multiplexing, the smaller mass diffe...
journal_title:Journal of proteome research
pub_type: 杂志文章
doi:10.1021/acs.jproteome.8b00381
更新日期:2018-11-02 00:00:00
abstract::Outbreaks of porcine epidemic diarrhea virus (PEDV) have caused significant lethality rates in neonatal piglets, which pose a serious threat to the swine industry worldwide. Available commercial vaccines fail to protect against the emergence of high virulence of PEDV variants. Therefore, the endemic state of the PEDV ...
journal_title:Journal of proteome research
pub_type: 杂志文章
doi:10.1021/acs.jproteome.8b00897
更新日期:2019-04-05 00:00:00
abstract::Extracellular vesicles (EVs) are important mediators of cell-cell communication due to their cargo content of proteins, lipids, and RNAs. We previously reported that small EVs (SEVs) called exosomes promote directed and random cell motility, invasion, and serum-independent growth. In contrast, larger EVs (LEVs) were n...
journal_title:Journal of proteome research
pub_type: 杂志文章
doi:10.1021/acs.jproteome.8b00647
更新日期:2019-03-01 00:00:00
abstract::Eusocial behavior is extensively studied in the honeybee, Apis mellifera, as it displays an extreme form of altruism. Honeybee workers are generally obligatory sterile in a bee colony headed by a queen, but the inhibition of ovary activation is lifted upon the absence of queen and larvae. Worker bees are then able to ...
journal_title:Journal of proteome research
pub_type: 杂志文章
doi:10.1021/pr201222s
更新日期:2012-05-04 00:00:00
abstract::This report describes the application of NMR spectroscopy to the profiling of metabolites in bronchoalveolar lavage fluid (BALf) of lung transplant recipients without bronchiolitis obliterans syndrome (BOS) (stable, S, n = 10), and with BOS at different degrees of severity (BOS 0p, n = 10; BOS I, n = 10). Through the ...
journal_title:Journal of proteome research
pub_type: 杂志文章
doi:10.1021/acs.jproteome.6b01038
更新日期:2017-04-07 00:00:00
abstract::Roux-en-Y gastric bypass (RYGB) is one of the most effective treatments for long-term weight loss and diabetes remission; however, the mechanisms underlying these changes are not clearly understood. In this study, the serum metabolic profiles of 23 remission and 12 nonremission patients with type 2 diabetes mellitus (...
journal_title:Journal of proteome research
pub_type: 杂志文章
doi:10.1021/acs.jproteome.6b00022
更新日期:2016-04-01 00:00:00
abstract::The epidermal growth factor receptor (EGFR) is usually overexpressed in nasopharyngeal carcinoma (NPC) and is associated with pathogenesis of NPC. However, while EGFR-modulated intracellular proteins have been extensively studied, little is known concerning their extracellular counterparts. To identify EGFR-regulated ...
journal_title:Journal of proteome research
pub_type: 杂志文章
doi:10.1021/pr100663p
更新日期:2010-12-03 00:00:00
abstract::S-Nitrosylation is a redox-based post-translational modification of a protein in response to nitric oxide (NO) signaling, and it participates in a variety of processes in diverse biological systems. The significance of this type of protein modification in health and diseases is increasingly recognized. In the central ...
journal_title:Journal of proteome research
pub_type: 杂志文章,评审
doi:10.1021/acs.jproteome.5b00857
更新日期:2016-01-04 00:00:00
abstract::Shotgun proteomics produces collections of tandem mass spectra that contain all the data needed to identify mutated peptides from clinical samples. Identifying these sequence variations, however, has not been feasible with conventional database search strategies, which require exact matches between observed and expect...
journal_title:Journal of proteome research
pub_type: 杂志文章
doi:10.1021/pr900850m
更新日期:2010-04-05 00:00:00
abstract::To understand bacterial reactions to environmental stress or infection-related processes, it is necessary to identify the involved proteins. In mass spectrometry-based proteomics, the method of choice for spectra-to-peptide-match is database search, but in recent times, spectral libraries have come into focus. Here, w...
journal_title:Journal of proteome research
pub_type: 杂志文章
doi:10.1021/acs.jproteome.9b00615
更新日期:2020-04-03 00:00:00
abstract::As large-scale cross-linking data becomes available, new software tools for data processing and visualization are required to replace manual data analysis. XLink-DB serves as a data storage site and visualization tool for cross-linking results. XLink-DB accepts data generated with any cross-linker and stores them in a...
journal_title:Journal of proteome research
pub_type: 杂志文章
doi:10.1021/pr301162j
更新日期:2013-04-05 00:00:00
abstract::High-throughput technologies, such as proteomic screening and DNA micro-arrays, produce vast amounts of data requiring comprehensive analytical methods to decipher the biologically relevant results. One approach would be to manually search the biomedical literature; however, this would be an arduous task. We developed...
journal_title:Journal of proteome research
pub_type: 杂志文章
doi:10.1021/pr0340227
更新日期:2003-07-01 00:00:00
abstract::Moving from macroscale preparative systems in proteomics to micro- and nanotechnologies offers researchers the ability to deeply profile smaller numbers of cells that are more likely to be encountered in clinical settings. Herein a recently developed microscale proteomic method, microdroplet processing in one pot for ...
journal_title:Journal of proteome research
pub_type: 杂志文章
doi:10.1021/acs.jproteome.0c00629
更新日期:2021-01-25 00:00:00
abstract::The coronavirus disease 2019 (COVID-19), caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), has impacted a large portion of the world population. From a virus genetic perspective, a recent study described what genomic data revealed about the origin and emergence of SARS-CoV-2, proposing stronger a...
journal_title:Journal of proteome research
pub_type: 杂志文章,评审
doi:10.1021/acs.jproteome.0c00671
更新日期:2020-11-06 00:00:00
abstract::A metabonomic study was performed to investigate the biochemical perturbation of the serum samples from liver failure patients induced by hepatitis B virus (HBV; n=24) and control normal subjects (n=23). The serum metabonome was detected using gas chromatography-mass spectrometry (GC-MS) technique integrated with a co...
journal_title:Journal of proteome research
pub_type: 杂志文章
doi:10.1021/pr060591d
更新日期:2007-07-01 00:00:00
abstract::Histones are subjected to extensive post-translational modifications (PTMs) that are known to play key roles in many biological processes. In this study, we report a fast, efficient, highly reproducible, and easily automated method involving ultra-high performance liquid chromatography (UHPLC) coupled to a high resolu...
journal_title:Journal of proteome research
pub_type: 杂志文章
doi:10.1021/pr100497a
更新日期:2010-10-01 00:00:00
abstract::Triply and doubly charged iTRAQ ( isobaric tagging for relative and absolute quantitation) labeled peptide cations from a tryptic peptide mixture of bovine carbonic anhydrase II were subjected to electron transfer ion/ion reactions to investigate the effect of charge bearing modifications associated with iTRAQ on the ...
journal_title:Journal of proteome research
pub_type: 杂志文章
doi:10.1021/pr8001113
更新日期:2008-09-01 00:00:00
abstract::Improvements in proteome analysis of erythrocyte membrane proteins by two-dimensional electrophoresis are here reported. In particular, a differential extraction procedure was set up allowing separation of integral membrane proteins from peripheral species. Moreover, the use of dilute Immobiline gels (down to as low a...
journal_title:Journal of proteome research
pub_type: 杂志文章
doi:10.1021/pr050026v
更新日期:2005-07-01 00:00:00
abstract::Membrane proteins play a critical role in the process of neural stem cell self-renewal and differentiation. Here, we apply the SILAC (stable isotope labeling by amino acids in cell culture) approach to quantitatively compare the membrane proteome of the self-renewing and the astroglial differentiating cells. High-reso...
journal_title:Journal of proteome research
pub_type: 杂志文章
doi:10.1021/pr200677z
更新日期:2012-02-03 00:00:00
abstract::Measuring and evaluating diagnostic efficiency is important in biomarker discovery and validation. The receiver operating characteristic (ROC) curve is a graphical plot for assessing the performance of a classifier or predictor that can be used to test the sensitivity and specificity of diagnostic biomarkers. In this ...
journal_title:Journal of proteome research
pub_type: 杂志文章
doi:10.1021/pr3004387
更新日期:2012-12-07 00:00:00
abstract::Glycolysis is the core metabolic pathway supplying energy to cells. Whereas the vast majority of studies focus on specific aspects of the process, global analyses characterizing simultaneously all enzymes involved in the process are scarce. Here, we demonstrate that quantitative label- and standard-free proteomics all...
journal_title:Journal of proteome research
pub_type: 杂志文章
doi:10.1021/acs.jproteome.5b00276
更新日期:2015-08-07 00:00:00