"Data on GC/MS Elution profile, 1H and 13C NMR Spectra of 1-, 3-, and 6" by Kefa Karimu Onchoke
 

Document Type

Article

Publication Date

2020

Abstract

The data presented in this article is related to the research article entitled, “13C NMR Chemical Shift Assignments of Nitrated Benzo[a]pyrenes based on Two-dimensional Techniques and DFT/GIAO Calculations”, Kefa K. Onchoke, PeerJ., . The NMR spectral profiles of nitrated benzo[a]pyrenes is presented. Further, the article describes elution profiles of 1-, 3- and 6-NBaP, the acquisition of 1H and 13C NMR data and the J-Coupling constants (which are useful for the assignment of peaks via 2D HMQC and HMBC techniques). The data presented is useful for developing structure-activity relationships for other nitrated polycyclic aromatic hydrocarbons (NPAHs)

DOI

https://doi.org/10.1016/j.dib.2019.104995

Comments

  • The data provides important information for identification of nitrated benzo[a]pyrenes (BaP) derivatives in environmental samples. The nitrated benzo[a]pyrenes derivatives are ubiquitous in environmental matrices such as soils, wastewater samples, drinking water resources, and air particulates.
  • The chromatographic elution profiles are important for identification and distinguishing of nitrated BaPs. This data can also be used for rationalizing structure-mutagenicity relationships in toxicological studies.
  • The data serves as a benchmark for other researchers analyzing mononitrated benzo[a]pyrene isomers generated from high temperature emissions.
  • The 13C NMR spectra is useful for referencing and identification of NPAHs prevalent in biosolids/wastewater sludge].


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Plum Print visual indicator of research metrics
  • Citations
    • Citation Indexes: 1
  • Usage
    • Downloads: 159
    • Abstract Views: 54
  • Captures
    • Readers: 5
  • Social Media
    • Shares, Likes & Comments: 8
see details

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