In Silico Screening-Level Prioritization of 8468 Chemicals Produced in OECD Countries to Identify Potential Planetary Boundary Threats

نویسندگان

  • Efstathios Reppas-Chrysovitsinos
  • Anna Sobek
  • Matthew MacLeod
چکیده

Legislation such as the Stockholm Convention and REACH aim to identify and regulate the production and use of chemicals that qualify as persistent organic pollutants (POPs) and very persistent and very bioaccumulative (vPvB) chemicals, respectively. Recently, a series of studies on planetary boundary threats proposed seven chemical hazard profiles that are distinct from the POP and vPvB profiles. We previously defined two exposure-based hazard profiles; airborne persistent contaminants (APCs) and waterborne persistent contaminants (WPCs) that correspond to two profiles of chemicals that are planetary boundary threats. Here, we extend our method to screen a database of chemicals consisting of 8648 substances produced within the OECD countries. We propose a new scoring scheme to disentangle the POP, vPvB, APC and WPC profiles by focusing on the spatial range of exposure potential, discuss the relationship between high exposure hazard and elemental composition of chemicals, and identify chemicals with high exposure hazard potential.

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Identification and Prioritization of Hazards and Threats Based on the Risk Matrix Model (Case Study: Assalouyeh region)

Background and objective: The most important step in disaster management is recognizing the correct, accurate and wise of the potential risks and threats that may occur. Rationally, the distribution of limited resources among a lot of hazards and threats is neither feasible nor possible; therefore, at the first the hazards and threats of each region should be identify and prioritize through a r...

متن کامل

H295R Steroidogenesis Assay

1. The OECD initiated a high-priority activity in 1998 to revise existing, and to develop new, Test Guidelines for the screening and testing of potential endocrine disrupting chemicals. The 2002 OECD Conceptual Framework for Testing and Assessment of Endocrine Disrupting Chemicals comprises five levels, each level corresponding to a different level of biological complexity (1). The in vitro H29...

متن کامل

In silico screening of inventories of high public concern. Mutagenicity predictions for HPVC OECD chemicals

Risk assessment is a process that characterizes the magnitude of risk that chemicals pose to human and environmental health. Recent findings have suggested that certain chemicals have properties that make them harmful to human health or the environment which may require their restriction or even prohibition. One of the endpoints of major regulatory concern is mutagenicity defined as ability of ...

متن کامل

Molecular Docking Based on Virtual Screening, Molecular Dynamics and Atoms in Molecules Studies to Identify the Potential Human Epidermal Receptor 2 Intracellular Domain Inhibitors

Human epidermal growth factor receptor 2 (HER2) is a member of the epidermal growth factor receptor family having tyrosine kinase activity. Overexpression of HER2 usually causes malignant transformation of cells and is responsible for the breast cancer. In this work, the virtual screening, molecular docking, quantum mechanics and molecular dynamics methods were employed to study protein–ligand ...

متن کامل

In silico screening of G-Quadruplex Structures in Wilms tumor 1 Gene Promoter

Introduction: X-ray diffraction studies have revealed that guanines in a DNA stands may be arranged in quartet and form a structure called G-quadruplexs. Bioinformatics studies suggested the formation of G-quadruplex structure in human crucial genes, including Wilms tumor 1 (WT1). The aim of this study was to in silico analysis of the guanine-rich sequence in the promoter region of the WT1 gene...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:

دوره 100  شماره 

صفحات  -

تاریخ انتشار 2018