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Article

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Title

Comprehensive Ecotoxicity Studies on Quaternary Ammonium Salts Synthesized from Vitamin B3 Supported by QSAR Calculations

Authors

[ 1 ] Instytut Technologii i Inżynierii Chemicznej, Wydział Technologii Chemicznej, Politechnika Poznańska | [ SzD ] doctoral school student | [ P ] employee

Scientific discipline (Law 2.0)

[7.6] Chemical sciences

Year of publication

2023

Published in

Plants

Journal year: 2023 | Journal volume: vol. 12 | Journal number: iss. 4

Article type

scientific article

Publication language

english

Keywords
EN
  • nicotinamide
  • quaternary ammonium salts
  • white mustard
  • sorghum
  • plant development
  • Lemna minor
  • QSAR
Abstract

EN Lately, ionic forms (namely, quaternary ammonium salts, QASs) of nicotinamide, widely known as vitamin B3, are gaining popularity in the sectors developing novel pharmaceuticals and agrochemicals. However, the direct influence of these unique QASs on the development of various terrestrial plants, as well as other organisms, remains unknown. Therefore, three compounds comprising short, medium, and long alkyl chains in N-alkylnicotinamide were selected for phytotoxicity analyses, which were conducted on representative dicotyledonous (white mustard) and monocotyledonous (sorghum) plants. The study allowed the determination of the impact of compounds on the germination capacity as well as on the development of roots and stems of the tested plants. Interestingly, independently of the length of the alkyl chain or plant species, all QASs were established as non-phytotoxic. In addition, QSAR simulations, performed using the EPI Suite™ program pack, allowed the determination of the products’ potential toxicity toward fish, green algae, and daphnids along with the susceptibility to biodegradation. The obtained nicotinamide derivative with the shortest chain (butyl) can be considered practically non-toxic according to GHS criteria, whereas salts with medium (decyl) and longest (hexadecyl) substituent were included in the ‘acute II’ toxicity class. These findings were supported by the results of the toxicity tests performed on the model aquatic plant Lemna minor. It should be stressed that all synthesized salts exhibit not only a lack of potential for bioaccumulation but also lower toxicity than their fully synthetic analogs.

Date of online publication

17.02.2023

Pages (from - to)

914-1 - 914-16

DOI

10.3390/plants12040914

URL

https://www.mdpi.com/2223-7747/12/4/914

Comments

Article number: 914

License type

CC BY (attribution alone)

Open Access Mode

open journal

Open Access Text Version

final published version

Release date

17.02.2023

Date of Open Access to the publication

at the time of publication

Full text of article

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Access level to full text

public

Ministry points / journal

70

Impact Factor

4

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