Mass Spectrometry-Based Direct Analytical Techniques

2019 ◽  
pp. 75-101
Author(s):  
Renata Marcinkowska ◽  
Klaudia Pytel ◽  
Bożena Zabiegała
Keyword(s):  
Mass Spectrometry ◽  
Analytical Techniques

scholarly journals Comparison of Three Approaches to Assess the Flavour Characteristics of Scotch Whisky Spirit

2021 ◽  
Vol 11 (4) ◽  
pp. 1410
Author(s):  
Martina Daute ◽  
Frances Jack ◽  
Irene Baxter ◽  
Barry Harrison ◽  
John Grigor ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Descriptive Analysis ◽  
Analytical Techniques ◽  
Gas Chromatography Mass Spectrometry ◽  
Multiple Factor Analysis ◽  
Quantitative Descriptive Analysis ◽  
Yeast Strains ◽  
Quantitative Descriptive ◽  
Scotch Whisky ◽  
Multiple Factor

This study compared the use of three sensory and analytical techniques: Quantitative Descriptive Analysis (QDA), Napping, and Gas Chromatography-Mass Spectrometry (GC-MS) for the assessment of flavour in nine unmatured whisky spirits produced using different yeasts. Hierarchical Multiple Factor Analysis (HMFA) showed a similar pattern of sample discrimination (RV scores: 0.895–0.927) across the techniques: spirits were mostly separated by their Alcohol by Volume (ABV). Low ABV spirits tended to have heavier flavour characteristics (feinty, cereal, sour, oily, sulphury) than high ABV spirits, which were lighter in character (fruity, sweet, floral, solventy, soapy). QDA differentiated best between low ABV spirits and GC-MS between high ABV spirits, with Napping having the lowest resolution. QDA was time-consuming but provided quantitative flavour profiles of each spirit that could be readily compared. Napping, although quicker, gave an overview of the flavour differences of the spirits, while GC-MS provided semi-quantitative ratios of 96 flavour compounds for differentiating between spirits. Ester, arenes and certain alcohols were found in higher concentrations in high ABV spirits and other alcohols and aldehydes in low ABV spirits. The most comprehensive insights on spirit flavour differences produced by different yeast strains are obtained through the application of a combination of approaches.

Oxygen isotope (δ18O) trends measured from Ordovician conodont apatite using secondary ion mass spectrometry (SIMS): Implications for paleo-thermometry studies

2021 ◽  
Author(s):  
Cole T. Edwards ◽  
Clive M. Jones ◽  
Page C. Quinton ◽  
David A. Fike
Keyword(s):  
Mass Spectrometry ◽  
Secondary Ion Mass Spectrometry ◽  
Matrix Effects ◽  
Analytical Techniques ◽  
Upper Ordovician ◽  
Bulk Analysis ◽  
Middle Ordovician ◽  
Ion Mass Spectrometry ◽  
Oxygen Isotopic ◽  
Secondary Ion

The oxygen isotopic compositions (δ18O) of minimally altered phosphate minerals and fossils, such as conodont elements, are used as a proxy for past ocean temperature. Phosphate is thermally stable under low to moderate burial conditions and is ideal for reconstructing seawater temperatures because the P-O bonds are highly resistant to isotopic exchange during diagenesis. Traditional bulk methods used to measure conodont δ18O include multiple conodont elements, which can reflect different environments and potentially yield an aggregate δ18O value derived from a mixture of different water masses. In situ spot analyses of individual elements using micro-analytical techniques, such as secondary ion mass spectrometry (SIMS), can address these issues. Here we present 108 new δ18O values using SIMS from conodont apatite collected from four Lower to Upper Ordovician stratigraphic successions from North America (Nevada, Oklahoma, and the Cincinnati Arch region of Kentucky and Indiana, USA). The available elements measured had a range of thermal alteration regimes that are categorized based on their conodont alteration index (CAI) as either low (CAI = 1−2) or high (CAI = 3−4). Though individual spot analyses of the same element yield δ18O values that vary by several per mil (‰), most form a normal distribution around a mean value. Isotopic variability of individual spots can be minimized by avoiding surficial heterogeneities like cracks, pits, or near the edge of the element and the precision can be improved with multiple (≥4) spot analyses of the same element. Mean δ18O values from multiple conodonts from the same bed range between 0.0 and 4.3‰ (median 1.0‰), regardless of low or high CAI values. Oxygen isotopic values measured using SIMS in this study reproduce values similar to published trends, namely, δ18O values increase during the Early−Middle Ordovician and plateau by the mid Darriwilian (late Middle Ordovician). Twenty-two of the measured conodonts were from ten sampled beds that had been previously measured using bulk analysis. SIMS-based δ18O values from these samples are more positive by an average of 1.7‰ compared to bulk values, consistent with observations by others who attribute the shift to carbonate- and hydroxyl-related SIMS matrix effects. This offset has implications for paleo-temperature model estimates, which indicate that a 4 °C temperature change corresponds to a 1‰ shift in δ18O (‰). Although this uncertainty precludes precise paleo-temperature reconstructions by SIMS, it is valuable for identifying spatial and stratigraphic trends in temperature that might not have been previously possible with bulk approaches.

Cellular fatty acids of Peptococcus variabilis and Peptostreptococcus anaerobius

1977 ◽  
Vol 5 (6) ◽  
pp. 665-667
Author(s):  
C W Moss ◽  
M A Lambert ◽  
G L Lombard
Keyword(s):  
Mass Spectrometry ◽  
Fatty Acids ◽  
Gas Chromatography ◽  
Analytical Techniques ◽  
Gas Chromatography Mass Spectrometry ◽  
Cellular Fatty Acids ◽  
Chromatography Mass Spectrometry ◽  
Branched Chain

Cellular fatty acids of Peptococcus variables and Peptostreptococcus anaerobius were identified by gas chromatography, mass spectrometry, and associated analytical techniques. Iso- and anteiso-branched-chain acids were major components in both species.

scholarly journals Nanoplastic Labelling with Metal Probes: Analytical Strategies for Their Sensitive Detection and Quantification by ICP Mass Spectrometry

Molecules ◽  
2021 ◽  
Vol 26 (23) ◽  
pp. 7093
Author(s):  
Lucile Marigliano ◽  
Bruno Grassl ◽  
Joanna Szpunar ◽  
Stéphanie Reynaud ◽  
Javier Jiménez-Lamana
Keyword(s):  
Mass Spectrometry ◽  
Inductively Coupled Plasma ◽  
Analytical Techniques ◽  
Inductively Coupled ◽  
Advantages And Disadvantages ◽  
Promising Tool ◽  
Icp Ms ◽  
Analytical Strategies ◽  
Icp Mass Spectrometry ◽  
Detection And Quantification

The detection and quantification of nanoplastics in aquatic environments is one of the major challenges in environmental and analytical research nowadays. The use of common analytical techniques for this purpose is not only hampered by the size of nanoplastics, but also because they are mainly made of carbon. In addition, the expected concentrations in environmental samples are below the detection limit of the majority of analytical techniques. In this context, the great detection capabilities of Inductively Coupled Plasma Mass Spectrometry (ICP-MS) in its Single Particle mode (SP-ICP-MS) have made of this technique a good candidate for the analysis of nanoplastics. Since the monitoring of carbon by ICP-MS faces several difficulties, the use of metal tags, taking advantage of the great potential of nanoplastics to adsorb chemical compounds, has been proposed as an alternative. In this perspectives paper, three different strategies for the analysis of polystyrene (PS) nanoplastics by SP-ICP-MS based on the use of metals species (ions, hydrophobic organometallic compound, and nanoparticles) as tags are presented and discussed. Advantages and disadvantages of each strategy, which rely on the labelling process, are highlighted. The metal nanoparticles labelling strategy is shown as a promising tool for the detection and quantification of nanoplastics in aqueous matrices by SP-ICP-MS.

Data Analysis and Interpretation in Metabolomics

2013 ◽  
pp. 1494-1521
Author(s):  
Jose M. Garcia-Manteiga
Keyword(s):  
Mass Spectrometry ◽  
Nuclear Magnetic Resonance ◽  
Data Analysis ◽  
Systems Biology ◽  
Magnetic Resonance ◽  
Biological System ◽  
Analytical Techniques ◽  
Point Of View ◽  
The Other ◽  
Top Down

Metabolomics represents the new ‘omics’ approach of the functional genomics era. It consists in the identification and quantification of all small molecules, namely metabolites, in a given biological system. While metabolomics refers to the analysis of any possible biological system, metabonomics is specifically applied to disease and physiopathological situations. The data collected within these approaches is highly integrative of the other higher levels and is hence amenable to be explored with a top-down systems biology point of view. The aim of this chapter is to give a global view of the state of the art in metabolomics describing the two analytical techniques usually used to give rise to this kind of data, nuclear magnetic resonance, NMR, and mass spectrometry. In addition, the author will focus on the different data analysis tools that can be applied to such studies to extract information with special interest at the attempts to integrate metabolomics with other ‘omics’ approaches and its relevance in systems biology modeling.

Data Analysis and Interpretation in Metabolomics

2011 ◽  
pp. 29-56
Author(s):  
Jose M. Garcia-Manteiga
Keyword(s):  
Mass Spectrometry ◽  
Nuclear Magnetic Resonance ◽  
Data Analysis ◽  
Systems Biology ◽  
Magnetic Resonance ◽  
Biological System ◽  
Analytical Techniques ◽  
Point Of View ◽  
The Other ◽  
Top Down

Metabolomics represents the new ‘omics’ approach of the functional genomics era. It consists in the identification and quantification of all small molecules, namely metabolites, in a given biological system. While metabolomics refers to the analysis of any possible biological system, metabonomics is specifically applied to disease and physiopathological situations. The data collected within these approaches is highly integrative of the other higher levels and is hence amenable to be explored with a top-down systems biology point of view. The aim of this chapter is to give a global view of the state of the art in metabolomics describing the two analytical techniques usually used to give rise to this kind of data, nuclear magnetic resonance, NMR, and mass spectrometry. In addition, the author will focus on the different data analysis tools that can be applied to such studies to extract information with special interest at the attempts to integrate metabolomics with other ‘omics’ approaches and its relevance in systems biology modeling.

scholarly journals Determination of Polyphenols Using Liquid Chromatography–Tandem Mass Spectrometry Technique (LC–MS/MS): A Review

Antioxidants ◽  
2020 ◽  
Vol 9 (6) ◽  
pp. 479 ◽  
Author(s):  
Olalla López-Fernández ◽  
Rubén Domínguez ◽  
Mirian Pateiro ◽  
Paulo E.S. Munekata ◽  
Gabriele Rocchetti ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Liquid Chromatography ◽  
Tandem Mass Spectrometry ◽  
Analytical Techniques ◽  
Tandem Mass ◽  
Beneficial Effects ◽  
Mobile Phases ◽  
Liquid Chromatography Tandem Mass ◽  
Methodological Aspects ◽  
Selection Of

In recent years, the consumption of polyphenols has been increasing, largely due to its beneficial effects on health. They are present in a wide variety of foods, but their extraction and characterization are complicated since they are mostly in complex matrices. For this reason, the use of selective, sensitive, and versatile analytical techniques such as liquid chromatography coupled to tandem mass spectrometry (LC–MS/MS) is necessary. In this review, the most relevant studies of the last years regarding the analysis of polyphenols in different matrices by comprehensive LC–MS/MS are discussed. Relevant steps such as extraction, sample purification, and chromatographic analysis methods are emphasized. In particular, the following methodological aspects are discussed: (a) the proper selection of the extraction technique, (b) the extraction and elution solvents, (c) the purification step, (d) the selection of both stationary and mobile phases for the chromatographic separation of compounds, and (e) the different conditions for mass spectrometry. Overall, this review presents the data from the most recent studies, in a comprehensive way, thus providing and simplifying the information of the great variety of works that exist in the literature on this wide topic.

scholarly journals Determination of Semivolatile Organic Nitrates in Ambient Atmosphere by Gas Chromatography/Electron Ionization–Mass Spectrometry

Atmosphere ◽  
2019 ◽  
Vol 10 (2) ◽  
pp. 88 ◽  
Author(s):  
Rui Li ◽  
Xiaotong Jiang ◽  
Xinfeng Wang ◽  
Tianshu Chen ◽  
Lin Du ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Gas Chromatography ◽  
Analytical Techniques ◽  
Electron Ionization ◽  
Electron Ionization Mass Spectrometry ◽  
Ionization Mass Spectrometry ◽  
Organic Nitrates ◽  
Ionization Mass ◽  
Ambient Atmosphere ◽  
Characteristic Fragment

Semivolatile organic nitrates (SVONs) contribute a large proportion of total organic nitrates and play an important role in the tropospheric chemistry. However, the composition and concentrations of SVONs in the atmosphere remain unclear due to the lack of reliable analytical techniques for specific organic nitrates. In this study, a method based on gas chromatography and electron ionization–mass spectrometry was developed to detect ambient SVONs that were collected via polyurethane foam disk enrichment. Three SVONs were identified in the semivolatile samples from urban Jinan during spring based on the characteristic fragment ions of [NO2]+ and [CH2NO3]+ and the characteristic fragment loss of NO2 and NO3: 1-pentyl nitrate (molecular weight [MW] = 133), 4-hydroxy-isoprene nitrate (MW = 147), and (3,4)-di-hydroxy-isoprene nitrate (MW = 163). The latter two isoprene nitrates were rarely detected in the real atmosphere in previous studies. The contents of 1-pentyl nitrate, 4-hydroxy-isoprene nitrate, and (3,4)-di-hydroxy-isoprene nitrate were roughly quantified based on the standard of 1-pentyl nitrate, with a detection limit of 50 μg L−1. In addition, Fourier transform infrared spectrometry was used to determine the total SVONs content. The average concentrations of 1-pentyl nitrate, 4-hydroxy-isoprene nitrate, (3,4)-di-hydroxy-isoprene nitrate, and total SVONs in Jinan during spring were 20.2 ± 7.2, 13.2 ± 7.2, 36.5 ± 8.4, and 380.0 ± 190.8 ng m−3, respectively. The three identified SVONs contributed only 20.2 ± 5.5% to the total SVONs, which suggests that some unidentified SVONs are present in the ambient atmosphere and that studies with improved or advanced analytical techniques will be required to identify them.

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