Lee, Sang Hee Woo, Han Min Jung, Byung Hwa Lee, Jeongae Kwon, Oh Seung Pyo, Hee Soo Choi, Man Ho Chung, Bong Chul 2024-01-21T00:35:16Z 2024-01-21T00:35:16Z 2021-09-02 2007-08 0003-2700 https://pubs.kist.re.kr/handle/201004/134257 Metabolomics has focused on toxicological applications to (1) understand the mechanisms of toxicity, (2) identify novel biomarkers of toxicity, and (3) provide in vivo assessment in animal models through simple and fast methods to date. The toxicological effects of nonylphenol (NP) were evaluated after intraperitoneal injection of rats with 0, 50, and 250 mg kg(-1) day(-1) NP for four consecutive days. In the nontargeted approach, different extraction conditions were introduced to investigate the effects of NP on rats through gas chromatography/mass spectrometry (GC/MS). The GC/MS data obtained were further analyzed with partial least-squares discriminant analysis to compare toxicological effects between control and treated groups. The targeted approach was also used in combination with GC/MS to quantify endocrine hormones and to identify possible biomarkers in rat urine under optimal extraction conditions. In addition, we considered the metabolic trajectory to examine the metabolite profiles and patterns related to steroid metabolism in rats that were treated with NP, considering both treatment amount and time. The data suggest that tetrahydrocorticosterone and 5 alpha-tetrahydrocorticosterone are possible urinary biomarkers of NP-induced toxicity. This metabolomic approach is a promising tool to assist with screening in toxicological studies. English AMER CHEMICAL SOC Metabolomic approach to evaluate the toxicological effects of nonylphenol with rat urine Article 10.1021/ac070237e 1 ANALYTICAL CHEMISTRY, v.79, no.16, pp.6102 - 6110 ANALYTICAL CHEMISTRY 79 16 6102 6110 N scie scopus 000248993300007 2-s2.0-34548033057 Chemistry, Analytical Chemistry Article SAFETY ASSESSMENT METABONOMICS TOXICITY NMR CLASSIFICATION TECHNOLOGIES RESPONSES DISEASE Metabolomics GC-MS LC-MS Nonylphenol