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N-(1,3-Dimethyl butyl)-N'-phenyl-phenylenediamine-quinone (6ppd-quinone) is of emerging concern due to its widespread presence and toxicity to aquatic species. The chemical has been detected in human biofluids though little is known about its effects on human tissues. The objective of this study was to increase understanding of 6ppd-quinone's potential human health effects by deriving transcriptomic points of departure (tPOD) values in two human cell lines using the TPD-seq workflow. An EC20 for cytotoxicity was calculated for Caco-2 (104 μg/L) but not for HepG2 cells. Even in the absence of cytotoxicity, tPOD values (20th gene, 10th percentile, mode) were calculated in Caco-2 (6.5-25 μg/L) and HepG2 (0.36-35 μg/L) cells. These ranges capture values from 16 statistical and bioinformatic tests that examined mapping methods (CLC and Deplexer), algorithms (Limma and DESeq2), and filters (log2FC and BMR). The most common and sensitive genes with calculable benchmark doses (BMDs) in Caco-2 (DPF2, CD44, PGAP1, GDF15, H4C16) and HepG2 (SLC5A3, DKK1, ARG2, PHLDA1, TM4SF1) cells are listed. Pathway BMDs were also calculated for Caco-2 (systemic lupus erythematosus, 9.7-18 μg/L; alcoholism, 9.7-20 μg/L; viral carcinogenesis, 9.3-18.1 μg/L), and HepG2 (metabolic pathways, 50-60 μg/L) cells. These findings highlight TPD-seq as an efficient workflow to yield quantitative and mechanistic data relevant for human health risk assessment.
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http://dx.doi.org/10.1016/j.tiv.2025.106129 | DOI Listing |
J Appl Toxicol
September 2025
The Procter & Gamble Company, Cincinnati, USA.
The in vitro intestinal permeability of straight- and branched-chain parabens has not been extensively investigated. Sixteen parabens were tested in the Caco-2 assay. Passive diffusion was measured using PAMPA.
View Article and Find Full Text PDFInt J Biol Macromol
September 2025
Department of Chemistry, Faculty of Science, Cairo University, Giza, Egypt. Electronic address:
In our continued investigation into the glucose recognition binding site of GLUT and to improve the efficacy of targeted anticancer agents, glycogenated metal complexes have demonstrated potential for treating colon cancer via the salicylaldehyde-d-glucose moiety. Chitosan, a biopolymer, serves as a source of the glucose moiety. A Schiff base (CSSA) was synthesized from the condensation reaction between chitosan (CS) and salicylaldehyde (SA), followed by the formation of the vanadyl complex [VO (CSSA)]‧5HO.
View Article and Find Full Text PDFToxicol In Vitro
December 2025
Faculty of Agricultural and Environmental Sciences, McGill University, Montreal, Quebec, Canada. Electronic address:
N-(1,3-Dimethyl butyl)-N'-phenyl-phenylenediamine-quinone (6ppd-quinone) is of emerging concern due to its widespread presence and toxicity to aquatic species. The chemical has been detected in human biofluids though little is known about its effects on human tissues. The objective of this study was to increase understanding of 6ppd-quinone's potential human health effects by deriving transcriptomic points of departure (tPOD) values in two human cell lines using the TPD-seq workflow.
View Article and Find Full Text PDFJ Fluoresc
August 2025
Institute of Chemistry, The Islamia University of Bahawalpur, Bahawalpur, 63100, Pakistan.
A series of pyrazole-based chalcone derivatives (DF1-DF6) were synthesized and characterized using spectroscopic (H/C NMR, FT-IR) and computational methods. NMR analysis in acetone-d revealed aromatic protons (7.0-8.
View Article and Find Full Text PDFComput Biol Chem
August 2025
Universidad de Caldas, Chemistry Department, Chromatography and Related Techniques Research Group, Manizales, Caldas, Colombia. Electronic address:
Introduction: In the pharmaceutical field, the rapid and accurate characterization of physicochemical properties is essential for drug development. In this context, in silico methodologies facilitate the early-stage prediction of ADME (Absorption, Distribution, Metabolism, and Excretion) and toxicity (ADME-Tox) parameters, reducing experimental costs and accelerating the screening of viable drug candidates. Computational approaches such as QSAR, SAR, and QSPR enable the assessment of biological activity and pharmacokinetic behavior.
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