Identifying Toxicologically Significant Compounds in Urban Wildfire Ash Using In Vitro Bioassays and High-Resolution Mass Spectrometry was written by Young, Thomas M.;Black, Gabrielle P.;Wong, Luann;Bloszies, Clayton S.;Fiehn, Oliver;He, Guochun;Denison, Michael S.;Vogel, Christoph F. A.;Durbin-Johnson, Blythe. And the article was included in Environmental Science & Technology in 2021.Application of 638-02-8 The following contents are mentioned in the article:
Urban wildfires may generate numerous unidentified chems. of toxicity concern. Ash samples were collected from burned residences and from an undeveloped upwind reference site, following the Tubbs fire in Sonoma County, California. The solvent extracts of ash samples were analyzed using GC- and LC-high-resolution mass spectrometry (HRMS) and using a suite of in vitro bioassays for their bioactivity toward nuclear receptors [aryl hydrocarbon receptor (AhR), estrogen receptor (ER), and androgen receptor (AR)], their influence on the expression of genetic markers of stress and inflammation [interleukin-8 (IL-8) and cyclooxygenase-2 (COX-2)], and xenobiotic metabolism [cytochrome P 4501A1 (CYP1A1)]. Genetic markers (CYP1A1, IL-8, and COX-2) and AhR activity were significantly higher with wildfire samples than in solvent controls, whereas AR and ER activities generally were unaffected or reduced. The bioassay responses of samples from residential areas were not significantly different from the samples from the reference site despite differing chem. compositions Suspect and nontarget screening was conducted to identify the chems. responsible for elevated bioactivity using the multiple streams of HRMS data and open-source data anal. workflows. For the bioassay endpoint with the largest available database of pure compound results (AhR), nontarget features statistically related to whole sample bioassay response using Spearman’s rank-order correlation coefficients or elastic net regression were significantly more likely (by 10 and 15 times, resp.) to be known AhR agonists than the overall population of compounds tentatively identified by nontarget anal. The findings suggest that a combination of nontarget anal., in vitro bioassays, and statistical anal. can identify bioactive compounds in complex mixtures This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Application of 638-02-8).
2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophene is used as starting material for the synthesis of bioactive molecules. The core structure is a part of various pharmaceutical substances and natural products. It is also used in the manufacturing of dyes such as thioindigo.Application of 638-02-8
Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem