Dimethyl Sulfoxide as a Biocompatible Extractant for Enzymatic Bioluminescent Toxicity Assays: Experimental Validation and Molecular Dynamics Insights

Описание

Тип публикации: статья из журнала

Год издания: 2025

Идентификатор DOI: 10.3390/toxics13121038

Аннотация: <jats:p>Diesel fuel is among the most persistent petroleum-derived pollutants in soils, posing long-term ecological and toxicological risks, especially in cold-climate regions where natural degradation is limited. Reliable assessment of diesel-contaminated soils remains difficult because conventional solvent-based analyses are incoПоказать полностьюmpatible with bioassays, while aqueous extracts underestimate hydrocarbon toxicity. This study evaluated dimethyl sulfoxide (DMSO) as a biocompatible extractant for enzymatic bioluminescent toxicity assays employing the coupled NAD(P)H:FMN-oxidoreductase and bacterial luciferase (BLuc–Red) system. Soil samples artificially contaminated with diesel fuel were analyzed using DMSO extracts in combination with molecular dynamics (MD) simulations to examine enzyme stability in solvent environments. Moderate DMSO concentrations (4–6% v/v) maintained enzymatic activity, whereas higher levels caused partial inhibition. Diesel hydrocarbons dissolved in DMSO strongly suppressed luminescence, and soil extracts exhibited a clear dose–response relationship between contamination level and enzymatic inhibition. MD simulations confirmed that neither DMSO nor diesel induced large-scale unfolding of luciferase or reductase, though localized flexibility changes and partial dehydration of active site residues was observed, which may account for the detected inhibition of luminescence at higher DMSO concentrations. These results demonstrate that DMSO provides an effective and biocompatible extraction medium for enzymatic bioluminescent assays, enabling accurate toxicity evaluation of petroleum-contaminated soils and offering a promising tool for ecotoxicological risk assessment in oil-impacted environments.</jats:p>

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Издание

Журнал: Toxics

Выпуск журнала: Т. 13, 12

Номера страниц: 1038

ISSN журнала: 23056304

Персоны

  • Sutormin Oleg (Department of Biophysics, School of Fundamental Biology and Biotechnology, Siberian Federal University, 660041 Krasnoyarsk, Russia)
  • Lonshakova-Mukina Victoria (Photobiology Laboratory, Federal Research Center ‘Krasnoyarsk Science Center SB RAS’, Institute of Biophysics, Russian Academy of Sciences, Siberian Branch, 50/50 Akagemgorodok, 660036 Krasnoyarsk, Russia)
  • Deeva Anna (Department of Biophysics, School of Fundamental Biology and Biotechnology, Siberian Federal University, 660041 Krasnoyarsk, Russia)
  • Gromova Alena (Department of Biophysics, School of Fundamental Biology and Biotechnology, Siberian Federal University, 660041 Krasnoyarsk, Russia)
  • Bajbulatov Ruslan (Scientific and Educational Center, Institute of Nature and Technical Sciences, Surgut State University, 628412 Surgut, Russia)
  • Kratasyuk Valentina (Photobiology Laboratory, Federal Research Center ‘Krasnoyarsk Science Center SB RAS’, Institute of Biophysics, Russian Academy of Sciences, Siberian Branch, 50/50 Akagemgorodok, 660036 Krasnoyarsk, Russia)

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