GC–MS determination of phthalate esters in human urine: A potential biomarker for phthalate bio-monitoring

• Published in: Journal of chromatography. B, Analytical technologies in the biomedical and life sciences Analytical technologies in the biomedical and life sciences, 2018-03, Vol.1079, p.15-24
• Main Authors: Babu-Rajendran, Ramaswamy, Preethi, Gopalakrishnan, Poopal, Rama Krishnan, Nikhil, Nishikant Patil, Vimalkumar, Krishnamoorthi, Subramanian, Annamalai, Krishna-Kumar, Selvaraj
• Format: Article
• Language: English
• Subjects: Adolescent; Adult; Aged; Aged, 80 and over; Biomarker; Biomarkers - urine; Child; Child, Preschool; Esters - urine; Estrogenicity; Female; Gas Chromatography-Mass Spectrometry; GC–MS; Humans; Infant; Male; Middle Aged; Molecular Docking Simulation; Phthalate; Phthalic Acids - urine; Urine extract; Young Adult
• ISSN: 1570-0232; 1873-376X
• DOI: 10.1016/j.jchromb.2018.01.039

Six phthalic acid esters (PAEs) in human urine sampled randomly from three districts (Erode, Thanjavur, and Perambalur) in Tamil Nadu State and a Union Territory (Pondicherry) in India were quantified. We determined gender-wise, age-wise and location-wise distribution of PAEs and measured estrogenic activity of urine by molecular docking. Bis(2‑ethylhexyl) phthalate (DEHP) was the predominant phthalic acid ester found and had a recovery of 104.5% (ultrasonic extraction at 15 min). Gender-wise (pregnant women: 185 ng/mL, children: 156 ng/mL, female: 151 ng/mL, and male: 138 ng/mL), age-wise (1–20 y: 157 ng/mL, 21–40 y: 156 ng/mL, and >40 y: 146 ng/mL), location-wise (urban: 154 ng/mL, and rural: 151 ng/mL), and region-wise (Erode district: 185 ng/mL, Thanjavur district: 155 ng/mL, Perambalur district: 117 ng/mL, and Pondicherry: 135 ng/mL) differences with total mean of Σ6 PAEs were found. The molecular docking study showed a high negative binding energy of PAEs with microbial receptors. Based on the results we conclude that urine could be used as an ideal biomarker to understand PAEs exposure in humans. •We developed a reproducible method to extract PAEs in urine sample.•We quantified six PAEs in human urine sampled using GCMS.•Molecular docking was also studied.•Σ6 PAEs were found ubiquitous in all the samples analyzed.•High negative binding energy of PAEs with microbial receptors.•No estrogenic activity in phthalate extracts of urine samples.