PubAg

Main content area

You searched for: Subject "metabolomics" Remove constraint Subject: "metabolomics"
Start Over

Search

6,352  Search Results

« Previous | 1 - 20 of 6,352 |
Number of results to display per page

Search Results

1. State of the art in sample preparation for human breast milk metabolomics—merits and limitations

Author:
Garwolińska, Dorota; Namieśnik, Jacek; Kot-Wasik, Agata; Hewelt-Belka, Weronika
Source:
Trends in analytical chemistry 2019 v.114 pp. 1-10
ISSN:
0165-9936
Subject:
metabolomics,   etc   ; breast milk; chemical structure; metabolites;     Show all 4 Subjects
Abstract:
... Human breast milk (HBM) contains metabolites that are diverse in chemical structure and concentration. These metabolites range from high-abundance to low-abundance compounds and from polar to nonpolar. This complex nature of HBM makes HBM samples difficult to analyze, especially in global metabolomic studies for the determination and characterization of complete sets of metabolites. In this review ...
DOI:
10.1016/j.trac.2019.02.014

2. Recent developments and applications of solid phase microextraction as a sample preparation approach for mass-spectrometry-based metabolomics and lipidomics

Author:
Reyes-Garcés, Nathaly; Gionfriddo, Emanuela
Source:
Trends in analytical chemistry 2019 v.113 pp. 172-181
ISSN:
0165-9936
Subject:
metabolomics,   etc   ; metabolites; metabolome; solid phase microextraction;     Show all 4 Subjects
Abstract:
... This review presents, from a critical perspective, the most remarkable and recent applications of solid-phase microextraction (SPME) as a sample preparation tool for mass-spectrometry-based targeted and untargeted metabolomics and lipidomics. In this review, the advantages and disadvantages of SPME as an approach for extracting/enriching metabolites of interest, either in targeted or untargeted st ...
DOI:
10.1016/j.trac.2019.01.009

3. Mass Difference Maps and Their Application for the Recalibration of Mass Spectrometric Data in Nontargeted Metabolomics

Author:
Smirnov, Kirill S.; Forcisi, Sara; Moritz, Franco; Lucio, Marianna; Schmitt-Kopplin, Philippe
Source:
Analytical chemistry 2019 v.91 no.5 pp. 3350-3358
ISSN:
1520-6882
Subject:
metabolomics,   etc   ; algorithms; blood plasma; calibration; mass spectrometry;     Show all 5 Subjects
Abstract:
... Modern high-resolution mass spectrometry provides the great potential to analyze exact masses of thousands of molecules in one run. In addition, the high instrumental mass accuracy allows for high-precision formula assignments narrowing down tremendously the chemical space of unknown compounds. The adequate values for a mass accuracy are normally achieved by a proper calibration procedure that usu ...
DOI:
10.1021/acs.analchem.8b04555

4. Evaluation of E-beam irradiation and storage time in pork exudates using NMR metabolomics

Author:
García-García, A.B.; Herrera, A.; Fernández-Valle, M.E.; Cambero, M.I.; Castejón, D.
Source:
Food research international 2019 v.120 pp. 553-559
ISSN:
0963-9969
Subject:
metabolomics,   etc   ; irradiation; metabolites; nuclear magnetic resonance spectroscopy; pork; storage time;     Show all 6 Subjects
Abstract:
... Seventy-two exudates from pork tenderloin samples, subjected to E-beam irradiation treatments, have been employed to monitor, through 1H NMR analysis, the effects of irradiation dose (0, 1, 2 and 6 kGy) and storage time (1, 6 and 12 days). As far as we know, this is the first study where meat exudate is employed to monitor the effects of irradiation dose and storage time. The 1H NMR spectra, obtai ...
DOI:
10.1016/j.foodres.2018.11.005

5. Variation patterns in the content of glycosides during green tea manufacturing by a modification-specific metabolomics approach: Enzymatic reaction promoting an increase in the glycosidically bound volatiles at the pan firing stage

Author:
Li, Pengliang; Zhu, Yin; Lu, Meiling; Yang, Chen; Xie, Dongchao; Tan, Junfeng; Peng, Qunhua; Zhang, Yue; Ni, Dejiang; Dai, Weidong; Lin, Zhi
Source:
Food chemistry 2019 v.279 pp. 80-87
ISSN:
0308-8146
Subject:
metabolomics,   etc   ; drying; enzymatic reactions; flavor; glucose; glycosides; green tea; models;     Show all 8 Subjects
Abstract:
... The glycosides are presumed to influence the quality of green tea but the molecular mechanism behind remains unclear. To elucidate the contribution of glycosides to the flavor formation of green tea, changes of both glycosidically bound non-volatiles (GBNVs) and glycosidically bound volatiles (GBVs) during the manufacturing of green tea were investigated using a modification-specific metabolomics ...
DOI:
10.1016/j.foodchem.2018.11.148

6. Tackling the Peak Overlap Issue in NMR Metabolomics Studies: 1D Projected Correlation Traces from Statistical Correlation Analysis on Nontilted 2D ¹H NMR J-Resolved Spectra

Author:
Charris-Molina, Andrés; Riquelme, Gabriel; Burdisso, Paula; Hoijemberg, Pablo A.
Source:
Journal of proteome research 2019 v.18 no.5 pp. 2241-2253
ISSN:
1535-3907
Subject:
metabolomics,   etc   ; databases; metabolites; nuclear magnetic resonance spectroscopy; proteome;     Show all 5 Subjects
Abstract:
... The identification of metabolites in complex biological matrices is a challenging task in 1D ¹H-NMR-based metabolomics studies. Statistical total correlation spectroscopy (STOCSY) has emerged for aiding the structural elucidation by revealing the peaks that present a high correlation to a driver peak of interest (which would likely belong to the same molecule). However, in these studies, the signa ...
DOI:
10.1021/acs.jproteome.9b00093

7. Ambient Metabolic Profiling and Imaging of Biological Samples with Ultrahigh Molecular Resolution Using Laser Ablation Electrospray Ionization 21 Tesla FTICR Mass Spectrometry

Author:
Stopka, Sylwia A.; Samarah, Laith Z.; Shaw, Jared B.; Liyu, Andrey V.; Veličković, Dušan; Agtuca, Beverly J.; Kukolj, Caroline; Koppenaal, David W.; Stacey, Gary; Paša-Tolić, Ljiljana; Anderton, Christopher R.; Vertes, Akos
Source:
Analytical chemistry 2019 v.91 no.8 pp. 5028-5035
ISSN:
1520-6882
Subject:
metabolomics,   etc   ; image analysis; ionization; mass spectrometry; metabolites; tissues;     Show all 6 Subjects
Abstract:
... Mass spectrometry (MS) is an indispensable analytical tool to capture the array of metabolites within complex biological systems. However, conventional MS-based metabolomic workflows require extensive sample processing and separation resulting in limited throughput and potential alteration of the native molecular states in these systems. Ambient ionization methods, capable of sampling directly fro ...
DOI:
10.1021/acs.analchem.8b05084

8. Challenges, progress and promises of metabolite annotation for LC–MS-based metabolomics

Author:
Chaleckis, Romanas; Meister, Isabel; Zhang, Pei; Wheelock, Craig E
Source:
Current opinion in biotechnology 2019 v.55 pp. 44-50
ISSN:
0958-1669
Subject:
metabolomics,   etc   ; automation; liquid chromatography; mass spectrometry; metabolites; metabolome;     Show all 6 Subjects
Abstract:
... Accurate annotation is vital for data interpretation; however, metabolite identification is a major bottleneck in untargeted metabolomics. Although community guidelines for metabolite identification were published over a decade ago, adaptation of the recommended standards has been limited. The complexity of LC–MS data due to combinations of various chromatographic and mass spectrometric acquisitio ...
DOI:
10.1016/j.copbio.2018.07.010

9. Autonomous METLIN-Guided In-source Fragment Annotation for Untargeted Metabolomics

Author:
Domingo-Almenara, Xavier; Montenegro-Burke, J. Rafael; Guijas, Carlos; Majumder, Erica L.-W.; Benton, H. Paul; Siuzdak, Gary
Source:
Analytical chemistry 2019 v.91 no.5 pp. 3246-3253
ISSN:
1520-6882
Subject:
metabolomics,   etc   ; algorithms; liquid chromatography; metabolites; molecular weight; tandem mass spectrometry;     Show all 6 Subjects
Abstract:
... Computational metabolite annotation in untargeted profiling aims at uncovering neutral molecular masses of underlying metabolites and assign those with putative identities. Existing annotation strategies rely on the observation and annotation of adducts to determine metabolite neutral masses. However, a significant fraction of features usually detected in untargeted experiments remains unannotated ...
DOI:
10.1021/acs.analchem.8b03126

10. CE‐MS for metabolomics: Developments and applications in the period 2016–2018

Author:
Ramautar, Rawi; Somsen, Govert W.; de Jong, Gerhardus J.
Source:
Electrophoresis 2019 v.40 no.1 pp. 165-179
ISSN:
0173-0835
Subject:
metabolomics,   etc   ; capillary electrophoresis; coatings; mass spectrometry; metabolites; protocols;     Show all 6 Subjects
Abstract:
... In the field of metabolomics, CE‐MS is now recognized as a strong analytical technique for the analysis of (highly) polar and charged metabolites in a wide range of biological samples. Over the past few years, significant attention has been paid to the design and improvement of CE‐MS approaches for (large‐scale) metabolic profiling studies and for establishing protocols in order to further expand ...
DOI:
10.1002/elps.201800323

11. Simplifying the complex: metabolomics approaches in chemical ecology

Author:
Poulin, Remington X.; Pohnert, Georg
Source:
Analytical and bioanalytical chemistry 2019 v.411 no.1 pp. 13-19
ISSN:
1618-2642
Subject:
metabolomics,   etc   ; analytical methods; bioassays; chemical ecology; ecological competition; ecosystems; fractionation;     Show all 7 Subjects
Abstract:
... Chemical signals are important mediators of organismal interactions. These interactions significantly influence ecosystem structure and thus are crucial to understand. Ecologists and analytical chemists work closely together to identify the specific molecules regulating ecological interactions. However, limitations in the analytical techniques on the one hand and time-demanding bioassays on the ot ...
DOI:
10.1007/s00216-018-1470-3

12. Tools and resources for metabolomics research community: A 2017–2018 update

Author:
Misra, Biswapriya B.; Mohapatra, Subhashree
Source:
Electrophoresis 2019 v.40 no.2 pp. 227-246
ISSN:
0173-0835
Subject:
metabolomics,   etc   ; computer software; data collection; databases; electrophoresis; metabolites;     Show all 6 Subjects
Abstract:
... The scale at which MS‐ and NMR‐based platforms generate metabolomics datasets for both research, core, and clinical facilities to address challenges in the various sciences—ranging from biomedical to agricultural—is underappreciated. Thus, metabolomics efforts spanning microbe, environment, plant, animal, and human systems have led to continual and concomitant growth of in silico resources for ana ...
DOI:
10.1002/elps.201800428

13. Single-cell metabolomics by mass spectrometry: Advances, challenges, and future applications

Author:
Ali, Ahmed; Abouleila, Yasmine; Shimizu, Yoshihiro; Hiyama, Eiso; Emara, Samy; Mashaghi, Alireza; Hankemeier, Thomas
Source:
Trends in analytical chemistry 2019
ISSN:
0165-9936
Subject:
metabolomics,   etc   ; automation; image analysis; mass spectrometry; metabolism; microfluidic technology;     Show all 6 Subjects
Abstract:
... Cellular heterogeneity is a phenomenon that is often observed but poorly understood. Single-cell metabolomics can provide insights into the phenotypical variations between individual cells. Recent advances in microfluidics, micromanipulation, image analysis, and automation allowed for high-throughput isolation of single cells in a minimally disruptive manner as to not affect the cell metabolism. C ...
DOI:
10.1016/j.trac.2019.02.033

14. NMR for sample quality assessment in metabolomics

Author:
Ghini, Veronica; Quaglio, Deborah; Luchinat, Claudio; Turano, Paola
Source:
New biotechnology 2019 v.52 pp. 25-34
ISSN:
1871-6784
Subject:
metabolomics,   etc   ; European Union; blood serum; nuclear magnetic resonance spectroscopy; storage time; urine;     Show all 6 Subjects
Abstract:
... The EU Framework 7 project SPIDIA was the occasion for development of NMR approaches to evaluate the impact of different pre-analytical treatments on the quality of biological samples dedicated to metabolomics. Systematic simulation of different pre-analytical procedures was performed on urine and blood serum and plasma. Here we review the key aspects of these studies that have led to the developm ...
DOI:
10.1016/j.nbt.2019.04.004

15. Use of omics analytical methods in the study of genetically modified maize varieties tested in 90 days feeding trials

Author:
Corujo, Maria; Pla, Maria; van Dijk, Jeroen; Voorhuijzen, Marleen; Staats, Martijn; Slot, Martijn; Lommen, Arjen; Barros, Eugenia; Nadal, Anna; Puigdomènech, Pere; Paz, José Luís La; van der Voet, Hilko; Kok, Esther
Source:
Food chemistry 2019 v.292 pp. 359-371
ISSN:
0308-8146
Subject:
metabolomics,   etc   ; analytical methods; corn; cultivars; foods; proteomics; risk assessment; transcriptomics; transgenic plants; Europe;     Show all 10 Subjects
Abstract:
... Genetically modified (GM) maize and their non-modified counterparts were compared using MON810 varieties, the only GMO event cultivated in Europe. The differences in grain samples were analysed by omics profiles, including transcriptomics, proteomics and metabolomics. Other cultivated maize varieties were analysed as a reference for the variability that will exist between cultivated varieties. The ...
DOI:
10.1016/j.foodchem.2018.05.109

16. Chemometrics-assisted optimization of liquid chromatography-quadrupole-time-of-flight mass spectrometry analysis for targeted metabolomics

Author:
Peris-Díaz, Manuel David; Rodak, Olga; Sweeney, Shannon R.; Krężel, Artur; Sentandreu, Enrique
Source:
Talanta 2019 v.199 pp. 380-387
ISSN:
0039-9140
Subject:
metabolomics,   etc   ; algorithms; chemometrics; experimental design; humans; liquid chromatography; mass spectrometry; metabolites; variance;     Show all 9 Subjects
Abstract:
... Mass spectrometry-based metabolomics is characterized by a vast number of variables leading to a great degree of complexity. In this work, we aimed to simplify this process with a stepped chemometric optimization of the both funnel technology (funnel exit DC, FDC; funnel RF LP, FLC; funnel RF HP, FRP) and ion source parameters (Octopolo, Oct; and Fragmentor, Frag) of a quadrupole-time of flight (q ...
DOI:
10.1016/j.talanta.2019.02.075

17. Endorsing and extending the repertory of nutraceutical and antioxidant sources in mangoes during postharvest shelf life

Author:
Monribot-Villanueva, Juan L.; Elizalde-Contreras, José M.; Aluja, Martín; Segura-Cabrera, Aldo; Birke, Andrea; Guerrero-Analco, José A.; Ruiz-May, Eliel
Source:
Food chemistry 2019 v.285 pp. 119-129
ISSN:
0308-8146
Subject:
metabolomics,   etc   ; antioxidants; byproducts; cultivars; fruits; functional foods; mangoes; phenolic compounds; proteomics; shelf life;     Show all 10 Subjects
Abstract:
... Mango byproducts, such as peels, contain high levels of antioxidants and fiber and represent important sources of nutraceuticals and pharmacological products. Fruit are collected at the mature green stage then stored and ripened, undergoing several structural and molecular changes over the course of this process. However, very little is known regarding the content and nature of antioxidant compoun ...
DOI:
10.1016/j.foodchem.2019.01.136

18. Comparison of triterpene compounds of four botanical parts from Poria cocos (Schw.) wolf using simultaneous qualitative and quantitative method and metabolomics approach

Author:
Zhang, Guanhua; Wang, Hongxia; Xie, Wenyu; Wang, Qi; Wang, Xu; Wang, Chunying; Du, Yingfeng; Huo, Changhong; Wang, Qiao
Source:
Food research international 2019 v.121 pp. 666-677
ISSN:
0963-9969
Subject:
metabolomics,   etc   ; Oriental traditional medicine; Wolfiporia cocos; chemical composition; dietary supplements; principal component analysis; quantitative analysis; triterpenoids;     Show all 8 Subjects
Abstract:
... Poria cocos (Schw.) Wolf (PCW) is a widely used traditional Chinese medicine and dietary supplement. Its four parts including Poriae Cutis (PC), Rubra Poria (RP), White Poria (WP) and Poria cum Radix Pini (PRP) have different pharmacological effects and clinical applications. It is necessary to establish analytical platforms for differentiating the chemical composition of four botanical parts for ...
DOI:
10.1016/j.foodres.2018.12.036

19. Cranberries versus lingonberries: A challenging authentication of similar Vaccinium fruit

Author:
Hurkova, Kamila; Uttl, Leos; Rubert, Josep; Navratilova, Klara; Kocourek, Vladimir; Stranska-Zachariasova, Milena; Paprstein, Frantisek; Hajslova, Jana
Source:
Food chemistry 2019 v.284 pp. 162-170
ISSN:
0308-8146
Subject:
metabolomics,   etc   ; Vaccinium macrocarpon; Vaccinium vitis-idaea; chemometrics; cranberries; drying; fraud; fruits; myricetin; phospholipids; polyphenols;     Show all 11 Subjects
Abstract:
... Due to unique phytochemicals contained, Vaccinum berries are known to have a number of positive health effects. In this context, lingonberries (Vaccinium vitis-idaea) are considered to be the most effective, thus finding many uses. Recently, fraud suspicion on lingonberries-based products has been reported, partial or even total replacement by less valued cranberries (Vaccinium macrocarpon) was fo ...
DOI:
10.1016/j.foodchem.2019.01.014

20. UPLC–Q-TOF/MS-based untargeted metabolomics coupled with chemometrics approach for Tieguanyin tea with seasonal and year variations

Author:
Zhou, Peng; Hu, Ou; Fu, Haiyan; Ouyang, Liqun; Gong, Xuedong; Meng, Peng; Wang, Zheng; Dai, Ming; Guo, Xiaoming; Wang, Ying
Source:
Food chemistry 2019 v.283 pp. 73-82
ISSN:
0308-8146
Subject:
metabolomics,   etc   ; chemometrics; foods; heat; liquid chromatography; mass spectrometry; metabolites; odors; principal component analysis; taste; tea; variance;     Show all 12 Subjects
Abstract:
... The taste and aroma quality of Tieguanyin tea fluctuate seasonally and yearly. However, the compounds responsible for the seasonal and year variations of metabolic pattern and its sensory quality are far from clear. 60 Tieguanyin tea samples harvested in different years and seasons were analyzed by ultraperformance liquid chromatography–quadrupole time-of-flight mass spectrometry (UPLC–Q-TOF/MS) a ...
DOI:
10.1016/j.foodchem.2019.01.050