Carbon-13 magnetic resonance. XIV. Aza-analogs of polycyclic aromatic hydrocarbons

1969 ◽  
Vol 91 (23) ◽  
pp. 6381-6389 ◽  
Author(s):  
Ronald J. Pugmire ◽  
David M. Grant ◽  
Morris J. Robins ◽  
Roland K. Robins
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Magnetic Resonance ◽  
Aromatic Hydrocarbons ◽  
Polycyclic Aromatic

1H NMR metabolomics of earthworm responses to sub-lethal PAH exposure

2009 ◽  
Vol 6 (5) ◽  
pp. 432 ◽  
Author(s):  
Sarah A. E. Brown ◽  
Andre J. Simpson ◽  
Myrna J. Simpson
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Polycyclic Aromatic Hydrocarbons ◽  
Magnetic Resonance ◽  
Aromatic Hydrocarbons ◽  
Metabolic Responses ◽  
Nmr Metabolomics ◽  
1H Nuclear Magnetic Resonance ◽  
Polycyclic Aromatic ◽  
Pah Exposure ◽  
Nuclear Magnetic

Environmental context. Polycyclic aromatic hydrocarbons (PAHs) are common contaminants, but there has been limited research investigating the responses of earthworm exposure to sub-lethal PAH concentrations. In this study, 1H nuclear magnetic resonance (NMR) metabolomics was used to characterise the metabolic responses of Eisenia fetida earthworm exposure in contact tests to 10, 50 and 100 μg cm–2 naphthalene, phenanthrene and pyrene. The findings of this study highlight the potential of metabolomics as a tool for monitoring earthworm responses to sub-lethal concentrations of problematic environmental contaminants. Abstract. Metabolic responses of earthworm exposure to the polycyclic aromatic hydrocarbons (PAHs) naphthalene, phenanthrene and pyrene in contact tests were measured using 1H nuclear magnetic resonance (NMR). Novel metabolites were not detected but principal component analysis (PCA) showed that earthworms exposed to 10, 50 and 100 μg cm–2 naphthalene, phenanthrene and pyrene differed from unexposed (control) earthworms. Partial least-squares-discriminant analysis (PLS-DA) showed that earthworms had statistically significant responses to PAH exposure, except for 10 μg cm–2 naphthalene and 50 μg cm–2 pyrene. Leucine, valine, alanine, lysine and maltose were identified as potential response indicators of PAH exposure, but whether the concentration of these metabolites increased or decreased was PAH- and concentration-dependent. These initial findings reveal the potential of metabolomics for monitoring earthworm responses to sub-lethal PAH exposure and highlight the role of metabolomics as a future tool in ecotoxicology.

The Assessment of Contamination and Source of Polycyclic Aromatic Hydrocarbons from the Sediments of the Someş River

2019 ◽  
Vol 64 (1) ◽  
pp. 55-67
Author(s):  
Vlad Pӑnescu ◽  
◽  
Mihaela Cӑtӑlina Herghelegiu ◽  
Sorin Pop ◽  
Mircea Anton ◽  
...  
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Aromatic Hydrocarbons ◽  
Polycyclic Aromatic

1,1’-Biaceanthrylene and 2,2'-Biaceanthrylene: Models for Linking Larger Polycyclic Aromatic Hydrocarbons via Five-Membered Rings

2019 ◽  
Author(s):  
Yachu Du ◽  
Kyle Plunkett
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Polycyclic Aromatic Hydrocarbon ◽  
Aromatic Hydrocarbon ◽  
Electronic Properties ◽  
Aromatic Hydrocarbons ◽  
Model Systems ◽  
Redox Potentials ◽  
Dimer Model ◽  
Optical And Electronic Properties ◽  
Polycyclic Aromatic

We show that polycyclic aromatic hydrocarbon (PAH) chromophores that are linked between two five-membered rings can access planarized structures with reduced optical gaps and redox potentials. Two aceanthrylene chromophores were connected into dimer model systems with the chromophores either projected outward (2,2’-biaceanthrylene) or inward (1,1’-biaceanthrylene) and the optical and electronic properties were compared. Only the planar 2,2’-biaceanthrylene system showed significant reductions of the optical gaps (1 eV) and redox potentials in relation to the aceanthrylene monomer.<br>

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