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Insight into the Binding Interaction between PEDCs and hERRγ Utilizing Molecular Docking and Molecular Dynamics Simulations.
Molecules
July 2024
College of Chemistry and Chemical Engineering, Qiqihar University, Qiqihar 161006, China.
Phenolic environmental endocrine-disrupting chemicals (PEDCs) are persistent EDCs that are widely found in food packaging materials and environmental media and seriously threaten human health and ecological security. Human estrogen-related receptor γ (hERRγ) has been proposed as a mediator for the low-dose effects of many environmental PEDCs; however, the atomic-level descriptions of dynamical structural features and interactions of hERRγ and PEDCs are still unclarified. Herein, how three PEDCs, 4-(1-methylpropyl)phenol (4-sec-butylphenol), 5,6,7,8-tetrahydro-2-naphthol (tetrahydro-2-napthol), and 2,2-bis(4-hydroxy-3,5-dimethoxyphenyl)propane (BP(2,2)(Me)), interact with hERRγ to produce its estrogenic disruption effects was studied.
View Article and Find Full Text PDFSynthesis of ionically imprinted Poly(Alylthiourea) in the presence of 1-(2-Pyridylazo)-2-Napthol (PAN) for preconcentration in magnetic dispersive solid phase of nickel ions in water and food samples.
Food Chem
May 2024
Departamento de Química, Universidade Estadual de Londrina, Rod. Celso Garcia Cid, PR 445 Km 380, Campus Universitário, Londrina-PR, CEP 86051-990, Brazil; Instituto Nacional de Ciência e Tecnologia (INCT) de Bioanalítica, Universidade Estadual de Campinas (UNICAMP), Instituto de Química, Departamento de Química Analítica, Cidade Universitária Zeferino Vaz s/n, CEP 13083-970, Campinas SP, Brazil.
In the present study, a magnetic ion-imprinted polymer based on n-allylthiourea in the presence of 1-(2-pyridylazo)-2-naphthol (MIIP-PAN) was synthesized, characterized, and applied in the preconcentration of nickel ions by dispersive magnetic solid phase extraction (DMSPE) with FAAS detection. For comparison, non-imprinted polymer (MNIP-PAN) and imprinted polymer without PAN were synthesized. The characterization of the polymers was performed by FT-IR, DRX, TEM, TGA, VSM, and BET.
View Article and Find Full Text PDFAssociation between mixed exposure of polycyclic aromatic hydrocarbons and telomere length in general population: NHANES 2001-2002.
Environ Sci Pollut Res Int
June 2023
Department of Clinical Laboratory, Children's Hospital of Nanjing Medical University, 72 Guangzhou Road, Nanjing, 210008, People's Republic of China.
Although an association between single polycyclic aromatic hydrocarbons (PAHs) adult exposure and telomere length has been reported, the evidence of mixed PAHs (1-napthol, 2-napthol, 3-fluorene, 2-fluorene, 3-phenanthrene, 1-phenanthrene, 2-phenanthrene, and 1-pyrene) exposure and telomere length in the adult general population is still not clear. A total of 1460 adults over the age of 20 years provided urine information on 8 PAHs and selected covariates from the 2001-2002 National Health and Nutrition Examination Survey (NHANES). Bayesian nuclear machine regression (BKMR) was conducted to analyze these associations of telomere length in multiple PAH-exposed environments.
View Article and Find Full Text PDFThe relationship between polycyclic aromatic hydrocarbons exposure and serum klotho among adult population.
BMC Geriatr
March 2022
Division of Geriatric Medicine, Department of Family and Community Medicine, Tri-Service General Hospital, and School of Medicine, National Defense Medical Center, Taipei, Taiwan, Republic of China.
Background: Klotho is an important factor involving aging process. Recently, polycyclic aromatic hydrocarbons (PAHs) exposure was reported to have adverse impact on DNA methylation associated with aging. The aim of the current study was to determine the relationship between serum klotho and PAHs exposure in an adult population.
View Article and Find Full Text PDFA nonsymmetric Dy single-molecule magnet with two relaxation processes triggered by an external magnetic field: a theoretical and integrated EPR study of the role of magnetic-site dilution.
Dalton Trans
February 2022
Department of Chemistry, Laboratory of Inorganic Chemistry, University of Patras, 26504 Patras, Greece.
The 1 : 2 reaction between Dy(OCMe)·4HO and 1-acetyl-2-napthol (LH) in MeOH has provided access to the complex [DyL(MeOH)]·MeOH (1·MeOH) in a good yield. The structures of the isomorphous complex 1·MeOH and its doped diamagnetic yttrium analogue [DyYL(MeOH)]·MeOH (Dy@Y2) have been determined by single-crystal X-ray crystallography and characterized based on elemental analyses, IR spectra, and powder X-ray patterns. Combined dc and ac magnetic susceptibility and the magnetization data for 1 suggest that this complex shows slow magnetic relaxation.
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