Tutorial on PARADISe: PARAFAC2-based Deconvolution and Identification System for processing GC–MS data

Quintanilla‐Casas, Beatriz; Bro, Rasmus; Hinrich, Jesper Løve; Davie‐Martin, Cleo L.

doi:10.21203/rs.3.pex-2143/v1

Cited by 7 publications

(5 citation statements)

References 5 publications

(12 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

“…An HP‐5MS capillary column (model 19091S‐436; 60 m × 0.25 mm i.d (inner diameter) × 0.25 μm film thickness; Agilent, Santa Clara, CA, USA) was used for the separation of BVOCs. Chromatograms were analyzed using the software PARADISe v. 6.0 (Quintanilla Casas et al., 2023). Compounds were identified using pure standards, when available, or tentatively identified using the NIST 2020 Mass Spectral Library (National Institute of Standards and Technology, Gaithersburg, MD, USA).…”

Section: Methodsmentioning

confidence: 99%

Impact of three decades of warming, increased nutrient availability, and increased cloudiness on the fluxes of greenhouse gases and biogenic volatile organic compounds in a subarctic tundra heath

Ndah,

Michelsen,

Rinnan

et al. 2024

Global Change Biology

View full text Add to dashboard Cite

Climate change is exposing subarctic ecosystems to higher temperatures, increased nutrient availability, and increasing cloud cover. In this study, we assessed how these factors affect the fluxes of greenhouse gases (GHGs) (i.e., methane (CH4), nitrous oxide (N2O), and carbon dioxide (CO2)), and biogenic volatile organic compounds (BVOCs) in a subarctic mesic heath subjected to 34 years of climate change related manipulations of temperature, nutrient availability, and light. GHGs were sampled from static chambers and gases analyzed with gas chromatograph. BVOCs were measured using the push‐pull method and gases analyzed with chromatography–mass spectrometry. The soil temperature and moisture content in the warmed and shaded plots did not differ significantly from that in the controls during GHG and BVOC measurements. Also, the enclosure temperatures during BVOC measurements in the warmed and shaded plots did not differ significantly from temperatures in the controls. Hence, this allowed for assessment of long‐term effects of the climate treatment manipulations without interference of temperature and moisture differences at the time of measurements. Warming enhanced CH4 uptake and the emissions of CO2, N2O, and isoprene. Increased nutrient availability increased the emissions of CO2 and N2O but caused no significant changes in the fluxes of CH4 and BVOCs. Shading (simulating increased cloudiness) enhanced CH4 uptake but caused no significant changes in the fluxes of other gases compared to the controls. The results show that climate warming and increased cloudiness will enhance CH4 sink strength of subarctic mesic heath ecosystems, providing negative climate feedback, while climate warming and enhanced nutrient availability will provide positive climate feedback through increased emissions of CO2 and N2O. Climate warming will also indirectly, through vegetation changes, increase the amount of carbon lost as isoprene from subarctic ecosystems.

show abstract

Section: Methodsmentioning

confidence: 99%

Impact of three decades of warming, increased nutrient availability, and increased cloudiness on the fluxes of greenhouse gases and biogenic volatile organic compounds in a subarctic tundra heath

Ndah,

Michelsen,

Rinnan

et al. 2024

Global Change Biology

View full text Add to dashboard Cite

show abstract

“…Helium was used as carrier gas at a flow rate of 1.0 ml min −1 using temperature program as follows: 50 L, held 3 min; raised at 6 L min −1 to 200 L, raised at 10 L min −1 to 240 L, held 6 min. Chromatograms were analyzed using PARADISe v.6.0.1 (Quintanilla-Casas et al ., 2023). Compounds were identified using pure standards when available, or tentatively identified using NIST20 library.…”

Section: Methodsmentioning

confidence: 99%

“…Chromatograms were analyzed using PARADISe v.6.0.1 (Quintanilla-Casas et al ., 2023). Compounds were identified using pure standards when available, or tentatively identified using NIST17 library.…”

Section: Methodsmentioning

confidence: 99%

Floral scent emission ofEpiphyllum oxypetalum: identification of a novel cytosol-localized geraniol biosynthesis pathway

Zhang,

Tian

et al. 2023

Preprint

View full text Add to dashboard Cite

SummaryEpiphyllum oxypetalum, a renowned ornamental species in Cactaceae, unveils its attractive fragrance during its infrequent and rapid night blooming. However, the nature of this floral scent remains unexplored.Employing GC-MS, transcriptome and biochemical assay, we systematically characterized the composition, emission dynamics and biosynthesis ofE. oxypetalumfloral scent.Composition of the floral scent was highly dynamic, with 72.54% trans-Geraniol, 12.96% benzyl alcohol and 3.75% methyl salicylate at full bloom. From 22:00 to 05:00 the following day, the strong scent was primarily released from petals and sepals. Proved by inhibitor assay, the precursors for the dominant scent volatile trans-Geraniol are derived from amyloplast degradation and mevalonate (MVA) pathway. Together with the cytosol-localized geraniol pyrophosphate synthaseEoGDPSand geraniol synthaseEoTPSa1, we proved an uncanonical cytoplasmic biosynthesis route for monoterpene volatiles inE. oxypetalumpetal.Our study on the dynamic floral scent profile and its biosynthesis posed the first detailed analysis of cactus floral scent. These results laid foundation for novel perfume development and future inquiries on specialized pollination coevolution in Cactaceae.

show abstract

“…VOCs were separated and analyzed as in Simin et al (2022) and Rieksta et al (2023a). Chromatograms were analyzed using PARADISe v. 6.0 software (https://ucphchemometrics.com); Johnsen et al, 2017;Quintanilla-Casas et al, 2022). Compounds were identified using pure standards, when available, or tentatively identified against mass spectra in the 2014 NIST Mass Spectral Library.…”

Section: Voc Analysismentioning

confidence: 99%

Seasonal and Elevational Variability in Dwarf Birch VOC Emissions in Greenlandic Tundra

Rieksta,

Li,

Davie‐Martin

et al. 2023

JGR Biogeosciences

Self Cite

View full text Add to dashboard Cite

Rising temperatures amplify biogenic volatile organic compound (VOC) emissions from Arctic vegetation, causing feedbacks to the climate system. Changes in climate also alter plant physiology and vegetation composition, all of which can influence VOC emissions. Moreover, leaf development and biotic stresses cause highly variable emissions during the growing season. Therefore, linking VOC emissions with plant traits and tracking responses to climate change might provide better understanding of VOC emission regulation under future conditions. We measured VOC emissions and other plant traits in dwarf birch (Betula glandulosa) at two elevations in Narsarsuaq, South Greenland. The measurements were performed in warming experiments that have run since 2016. We collected VOCs using the branch enclosure method from early June until late July 2019 (n = 200). Emissions of green leaf volatiles (GLVs), oxygenated monoterpenes (oMTs), and homoterpenes followed a seasonal trend. VOC emission rates and the diversity of the VOC blend decreased at the end of the measurement period. Differences in VOC emission rates between elevations were pronounced early in the season. Majority of the traits did not explain the variation in VOC emissions. We show strong seasonal variability in VOC emissions within the growing season, which is likely driven by leaf phenology. While the diversity of VOCs was greater at the milder low‐elevation site, VOC emission rates were higher or similar at the harsher high‐elevation site, showing stronger VOC emission potentials than previously assumed. Seasonal variations in the emissions of VOCs are crucial for accurate predictions of current and future VOC emissions from arctic ecosystems.

show abstract

Tutorial on PARADISe: PARAFAC2-based Deconvolution and Identification System for processing GC–MS data

Cited by 7 publications

References 5 publications

Impact of three decades of warming, increased nutrient availability, and increased cloudiness on the fluxes of greenhouse gases and biogenic volatile organic compounds in a subarctic tundra heath

Impact of three decades of warming, increased nutrient availability, and increased cloudiness on the fluxes of greenhouse gases and biogenic volatile organic compounds in a subarctic tundra heath

Floral scent emission ofEpiphyllum oxypetalum: identification of a novel cytosol-localized geraniol biosynthesis pathway

Seasonal and Elevational Variability in Dwarf Birch VOC Emissions in Greenlandic Tundra

Contact Info

Product

Resources

About