Discrimination and geo-spatial mapping of atmospheric VOC sources using full scan direct mass spectral data collected from a moving vehicle

2020 ◽  
Vol 22 (1) ◽  
pp. 173-186
Author(s):  
L. C. Richards ◽  
N. G. Davey ◽  
C. G. Gill ◽  
E. T. Krogh
Keyword(s):  
Mass Spectrometry ◽  
Principal Component Analysis ◽  
Principal Component ◽  
Mass Spectrometry Data ◽  
Spatial Mapping ◽  
Mass Spectral Data ◽  
Moving Vehicle ◽  
Mass Spectral ◽  
Volatile Organic ◽  
Full Scan

Full scan mass spectrometry data collected from a moving vehicle used to discriminate and map sources of volatile organic compounds using principal component analysis.

Multivariate denoising methods combining wavelets and principal component analysis for mass spectrometry data

2010 ◽  
Vol 4 (10-11) ◽  
pp. 855-855
Author(s):  
Elise Mostacci ◽  
Caroline Truntzer ◽  
Hervé Cardot ◽  
Patrick Ducoroy
Keyword(s):  
Mass Spectrometry ◽  
Principal Component Analysis ◽  
Principal Component ◽  
Component Analysis ◽  
Mass Spectrometry Data

scholarly journals Principal Component Analysis from Mass Spectrometry Data Combined to a Sensory Evaluation as a Suitable Method for Assessing Bitterness of Enzymatic Hydrolysates Produced from Micellar Casein Proteins

Foods ◽  
2020 ◽  
Vol 9 (10) ◽  
pp. 1354
Author(s):  
Dahlia Daher ◽  
Barbara Deracinois ◽  
Alain Baniel ◽  
Elodie Wattez ◽  
Justine Dantin ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Principal Component Analysis ◽  
High Performance ◽  
High Resolution Mass Spectrometry ◽  
Liquid Fraction ◽  
Principal Component ◽  
Component Analysis ◽  
Mass Spectrometry Data ◽  
Sensory Panel ◽  
Enzymatic Hydrolysates

Enzymatic hydrolysis of food proteins generally changes the techno-functional, nutritional, and organoleptic properties of hydrolyzed proteins. As a result, protein hydrolysates have an important interest in the food industries. However, they tend to be characterized by a bitter taste and some off-flavors, which limit their use in the food industry. These tastes and aromas come from peptides, amino acids, and volatile compounds generated during hydrolysis. In this article, sixteen more or less bitter enzymatic hydrolysates produced from a milk protein liquid fraction enriched in micellar caseins using commercially available, food-grade proteases were subjected to a sensory analysis using a trained and validated sensory panel combined to a peptidomics approach based on the peptide characterization by reverse-phase high-performance liquid chromatography, high-resolution mass spectrometry, and bioinformatics software. The comparison between the sensory characteristics and the principal components of the principal component analysis (PCA) of mass spectrometry data reveals that peptidomics constitutes a convenient, valuable, fast, and economic intermediate method to evaluating the bitterness of enzymatic hydrolysates, as a trained sensory panel can do it.

scholarly journals Metabolomic and Proteomic Analysis of the Response of Angelica acutiloba after Herbivore Attack

2017 ◽  
Vol 12 (10) ◽  
pp. 1934578X1701201
Author(s):  
Risa Kato ◽  
Yusuke Morita ◽  
Atsutoshi Ina ◽  
Yoshiaki Tatsuo ◽  
Takayuki Tamura ◽  
...  
Keyword(s):  
Hydrogen Peroxide ◽  
Principal Component Analysis ◽  
Proteomic Analysis ◽  
Principal Component ◽  
Insect Damage ◽  
Mass Spectral Data ◽  
Mass Spectral ◽  
Herbivore Attack ◽  
Crude Drugs ◽  
Angelica Acutiloba

To investigate the effect of insect damage on the biosynthesis of secondary metabolites, we cultivated Angelica acutiloba with and without damage caused by the larvae of Papilio machaon. Compounds from the leaves and roots of A acutiloba were extracted with chloroform and analyzed by GC-MS. We annotated the peaks based on the mass spectral data and retention times. In addition, the effects of insect damage on the plants were investigated by principal component analysis (PCA). As a result, it was clarified that the amounts of ligustilide, γ-terpinene and β-caryophyllene, increased in leaves after being damaged by insects. Polyacetylenes also increased in the roots of damaged plants. In addition, as prompt responses, increases in the proteins relating to hydrogen peroxide synthesis and decreases in the proteins concerned with a non-urgent response to pathogenic attack were clarified by proteomic analysis. These results indicate that cultivation methods using the chemical-ecological response of the plant can contribute to the production of higher-quality crude drugs derived from A. acutiloba.

Multivariate denoising methods combining wavelets and principal component analysis for mass spectrometry data

PROTEOMICS ◽  
2010 ◽  
Vol 10 (14) ◽  
pp. 2564-2572 ◽  
Author(s):  
Elise Mostacci ◽  
Caroline Truntzer ◽  
Hervé Cardot ◽  
Patrick Ducoroy
Keyword(s):  
Mass Spectrometry ◽  
Principal Component Analysis ◽  
Principal Component ◽  
Component Analysis ◽  
Mass Spectrometry Data

scholarly journals The Stool Volatile Metabolome of Pre-Term Babies

Molecules ◽  
2021 ◽  
Vol 26 (11) ◽  
pp. 3341
Author(s):  
Alessandra Frau ◽  
Lauren Lett ◽  
Rachael Slater ◽  
Gregory R. Young ◽  
Christopher J. Stewart ◽  
...  
Keyword(s):  
Early Life ◽  
Solid Phase ◽  
Mass Spectrometry Data ◽  
Gas Chromatography Mass Spectrometry ◽  
Mass Spectral ◽  
Branched Chain Fatty Acids ◽  
Volatile Organic ◽  
Stool Samples ◽  
Branched Chain ◽  
Mixed Modelling

The fecal metabolome in early life has seldom been studied. We investigated its evolution in pre-term babies during their first weeks of life. Multiple (n = 152) stool samples were studied from 51 babies, all <32 weeks gestation. Volatile organic compounds (VOCs) were analyzed by headspace solid phase microextraction gas chromatography mass spectrometry. Data were interpreted using Automated Mass Spectral Deconvolution System (AMDIS) with the National Institute of Standards and Technology (NIST) reference library. Statistical analysis was based on linear mixed modelling, the number of VOCs increased over time; a rise was mainly observed between day 5 and day 10. The shift at day 5 was associated with products of branched-chain fatty acids. Prior to this, the metabolome was dominated by aldehydes and acetic acid. Caesarean delivery showed a modest association with molecules of fungal origin. This study shows how the metabolome changes in early life in pre-term babies. The shift in the metabolome 5 days after delivery coincides with the establishment of enteral feeding and the transition from meconium to feces. Great diversity of metabolites was associated with being fed greater volumes of milk.

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