scholarly journals Study of the Effect of Inhibitors Solutions on the Chemical Composition of Waxes by Rheology Tests and High Resolution Mass Spectrometry

2020 ◽  
Author(s):  
Lindamara Souza ◽  
Samantha Silva ◽  
Paulo Filgueiras ◽  
Francine dos Santos ◽  
Géssica Vasconcelos ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Chemical Composition ◽  
High Resolution ◽  
High Resolution Mass Spectrometry ◽  
High Resolution Mass ◽  
Effect Of Inhibitors ◽  
Resolution Mass

Seasonal differences of urban organic aerosol composition – an ultra-high resolution mass spectrometry study

2012 ◽  
Vol 9 (3) ◽  
pp. 298 ◽  
Author(s):  
Angela G. Rincón ◽  
Ana I. Calvo ◽  
Mathias Dietzel ◽  
Markus Kalberer
Keyword(s):  
Mass Spectrometry ◽  
Chemical Composition ◽  
High Resolution ◽  
Elemental Composition ◽  
High Resolution Mass Spectrometry ◽  
Organic Aerosols ◽  
Urban Site ◽  
High Resolution Mass ◽  
Oxidised Nitrogen ◽  
Resolution Mass

Environmental contextUnderstanding the molecular composition and chemical transformations of organic aerosols during atmospheric aging is a major challenge in atmospheric chemistry. Ultra-high resolution mass spectrometry can provide detailed information on the molecular composition of organic aerosols. Aerosol samples collected in summer and winter at an urban site are characterised and compared in detail with respect to the elemental composition of their components, especially nitrogen- and sulfur-containing compounds, and are discussed with respect to atmospheric formation processes. AbstractOrganic compounds are major constituents of atmospheric aerosol particles. The understanding of their chemical composition, their properties and reactivity are important for assessing aerosol effects upon both global climate change and human health. The composition of organic aerosols is poorly understood, mainly due to its highly complex chemical composition of several thousand compounds. There is currently no analytical technique available covering a wide enough chemical space to characterise this large number of organic compounds. In recent years ultra-high resolution mass spectrometry has been increasingly used to explore the chemical complexity in organic aerosols from laboratory and ambient samples. In the present study ambient particles <1 µm were collected at an urban site in Cambridge, UK, from August to December 2009. The water-soluble organic fraction of the filters was separated from inorganic ions following a procedure developed for humic-like substance isolation. Ultra-high resolution mass spectrometry analyses were performed in negative and positive polarity. Data in the mass range of m/z 50–350 were analysed for their elemental composition. Summer samples generally contained more components than winter samples. The large number of compounds was subdivided into groups according to their elemental composition. Up to 80 % of the peaks contain nitrogen and sulfur functional groups and only ~20 % of the compounds contain only C, H and O atoms. In summer the fraction of compounds with oxidised nitrogen and sulfur groups increases compared with winter indicating a photo-chemical formation route of these multifunctional compounds. In addition to oxidised nitrogen compounds a large number of amines was identified.

scholarly journals Secondary Organic Aerosol from Atmospheric Photooxidation of Indole

2017 ◽  
Author(s):  
Julia Montoya ◽  
Jeremy R. Horne ◽  
Mallory L. Hinks ◽  
Lauren T. Fleming ◽  
Veronique Perraud ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Air Quality ◽  
Chemical Composition ◽  
High Resolution ◽  
Secondary Organic Aerosol ◽  
High Resolution Mass Spectrometry ◽  
Organic Aerosol ◽  
Scanning Mobility Particle Sizer ◽  
High Resolution Mass ◽  
Resolution Mass

Abstract. Indole is a heterocyclic compound emitted by various plant species under stressed conditions or during flowering events. The formation, optical properties, and chemical composition of secondary organic aerosol (SOA) formed by low-NOx photooxidation of indole were investigated. The SOA yield (1.1 ± 0.3) was estimated from measuring the particle mass concentration with a scanning mobility particle sizer (SMPS) and correcting it for the wall loss effects. The SOA particles were collected on filters and analysed offline with UV-Vis spectrophotometry to measure the mass absorption coefficient (MAC) of the bulk sample. The samples were visibly brown and had MAC values of ~7 m2/g at λ = 300 nm and ~2 m2/g at λ = 400 nm, comparable to strongly absorbing brown carbon emitted from biomass burning. The chemical composition of SOA was examined with several mass spectrometry methods. The direct analysis in real time mass spectrometry (DART-MS) and nanospray desorption electrospray high resolution mass spectrometry (nano-DESI-HRMS) were used to provide information about the overall distribution of SOA compounds. High performance liquid chromatography, coupled to photodiode array spectrophotometry and high resolution mass spectrometry (HPLC-PDA-HRMS) was used to identify chromophoric compounds. Indole derivatives, such as tryptanthrin, indirubin, indigo dye, and indoxyl red were found to contribute significantly to the visible absorption spectrum of indole SOA. The potential effect of indole SOA on air quality was explored with the airshed model, which found elevated concentrations of indole SOA during the afternoon hours contributing considerably to the total organic aerosol under selected scenarios. Because of its high MAC values, indole SOA can contribute to decreased visibility and poor air quality.

scholarly journals Supercritical Carbon Dioxide Extraction of Four Medicinal Mediterranean Plants: Investigation of Chemical Composition and Antioxidant Activity

Molecules ◽  
2021 ◽  
Vol 26 (18) ◽  
pp. 5697
Author(s):  
Lara Čižmek ◽  
Mojca Bavcon Kralj ◽  
Rozelindra Čož-Rakovac ◽  
Dmitrii Mazur ◽  
Nikolay Ul’yanovskii ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Antioxidant Activity ◽  
Chemical Composition ◽  
High Resolution ◽  
Supercritical Co2 ◽  
Phenolic Content ◽  
High Resolution Mass Spectrometry ◽  
Supercritical Co2 Extraction ◽  
High Resolution Mass ◽  
Resolution Mass

With everyday advances in the field of pharmaceuticals, medicinal plants have high priority regarding the introduction of novel synthetic compounds by the usage of environmentally friendly extraction technologies. Herein, a supercritical CO2 extraction method was implemented in the analysis of four plants (chamomile, St. John’s wort, yarrow, and curry plant) after which the non-targeted analysis of the chemical composition, phenolic content, and antioxidant activity was evaluated. The extraction yield was the highest for the chamomile (5%), while moderate yields were obtained for the other three plants. The chemical composition analyzed by gas chromatography-high-resolution mass spectrometry (GC-HRMS) and liquid chromatography-high-resolution mass spectrometry (LC-HRMS) demonstrated extraction of diverse compounds including terpenes and terpenoids, fatty acids, flavonoids and coumarins, functionalized phytosterols, and polyphenols. Voltammetry of microfilm immobilized on a glassy carbon electrode using square-wave voltammetry (SWV) was applied in the analysis of extracts. It was found that antioxidant activity obtained by SWV correlates well to 1,1-diphenyl-2-picrylhidrazine (DPPH) radical assay (R2 = 0.818) and ferric reducing antioxidant power (FRAP) assay (R2 = 0.640), but not to the total phenolic content (R2 = 0.092). Effective results were obtained in terms of activity showing the potential usage of supercritical CO2 extraction to acquire bioactive compounds of interest.

scholarly journals Secondary organic aerosol from atmospheric photooxidation of indole

2017 ◽  
Vol 17 (18) ◽  
pp. 11605-11621 ◽  
Author(s):  
Julia Montoya-Aguilera ◽  
Jeremy R. Horne ◽  
Mallory L. Hinks ◽  
Lauren T. Fleming ◽  
Véronique Perraud ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Air Quality ◽  
Chemical Composition ◽  
High Resolution ◽  
Secondary Organic Aerosol ◽  
High Resolution Mass Spectrometry ◽  
Organic Aerosol ◽  
Scanning Mobility Particle Sizer ◽  
High Resolution Mass ◽  
Resolution Mass

Abstract. Indole is a heterocyclic compound emitted by various plant species under stressed conditions or during flowering events. The formation, optical properties, and chemical composition of secondary organic aerosol (SOA) formed by low-NOx photooxidation of indole were investigated. The SOA yield (1. 3 ± 0. 3) was estimated from measuring the particle mass concentration with a scanning mobility particle sizer (SMPS) and correcting it for wall loss effects. The high value of the SOA mass yield suggests that most oxidized indole products eventually end up in the particle phase. The SOA particles were collected on filters and analysed offline with UV–vis spectrophotometry to measure the mass absorption coefficient (MAC) of the bulk sample. The samples were visibly brown and had MAC values of  ∼ 2 m2 g−1 at λ = 300 nm and  ∼ 0. 5 m2 g−1 at λ = 400 nm, comparable to strongly absorbing brown carbon emitted from biomass burning. The chemical composition of SOA was examined with several mass spectrometry methods. Direct analysis in real-time mass spectrometry (DART-MS) and nanospray desorption electrospray high-resolution mass spectrometry (nano-DESI-HRMS) were both used to provide information about the overall distribution of SOA compounds. High-performance liquid chromatography, coupled to photodiode array spectrophotometry and high-resolution mass spectrometry (HPLC-PDA-HRMS), was used to identify chromophoric compounds that are responsible for the brown colour of SOA. Indole derivatives, such as tryptanthrin, indirubin, indigo dye, and indoxyl red, were found to contribute significantly to the visible absorption spectrum of indole SOA. The potential effect of indole SOA on air quality was explored with an airshed model, which found elevated concentrations of indole SOA during the afternoon hours contributing considerably to the total organic aerosol under selected scenarios. Because of its high MAC values, indole SOA can contribute to decreased visibility and poor air quality.

Exploring the Active Compounds of Traditional Mongolian Medicine Agsirga in Intervention of Novel Coronavirus (2019-nCoV) Based on HPLC-Q-Exactive-MS/MS and Molecular Docking Method

2020 ◽  
Author(s):  
Jie Cheng ◽  
Yuchen Tang ◽  
Baoquan Bao ◽  
Ping Zhang
Keyword(s):  
Mass Spectrometry ◽  
Molecular Docking ◽  
High Resolution ◽  
Mass Spectra ◽  
High Resolution Mass Spectrometry ◽  
Structural Formula ◽  
Active Compounds ◽  
High Resolution Mass ◽  
Q Exactive ◽  
Resolution Mass

<p><a></a><a></a><a></a><a><b>Objective</b></a>: To screen all compounds of Agsirga based on the HPLC-Q-Exactive high-resolution mass spectrometry and find potential inhibitors that can respond to 2019-nCoV from active compounds of Agsirga by molecular docking technology.</p> <p><b>Methods</b>: HPLC-Q-Exactive high-resolution mass spectrometry was adopted to identify the complex components of Mongolian medicine Agsirga, and separated by the high-resolution mass spectrometry Q-Exactive detector. Then the Orbitrap detector was used in tandem high-resolution mass spectrometry, and the related molecular and structural formula were found by using the chemsipider database and related literature, combined with precise molecular formulas (errors ≤ 5 × 10<sup>−6</sup>) , retention time, primary mass spectra, and secondary mass spectra information, The fragmentation regularities of mass spectra of these compounds were deduced. Taking ACE2 as the receptor and deduced compounds as the ligand, all of them were pretreated by discover studio, autodock and Chem3D. The molecular docking between the active ingredients and the target protein was studied by using AutoDock molecular docking software. The interaction between ligand and receptor is applied to provide a choice for screening anti-2019-nCoV drugs.</p> <p><b>Result</b>: Based on the fragmentation patterns of the reference compounds and consulting literature, a total of 96 major alkaloids and stilbenes were screened and identified in Agsirga by the HPLC-Q-Exactive-MS/MS method. Combining with molecular docking, a conclusion was got that there are potential active substances in Mongolian medicine Agsirga which can block the binding of ACE2 and 2019-nCoV at the molecular level.</p>

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