Screening tools for the bioconcentration potential of monovalent organic ions in fish.

08:00 EDT 1st May 2018 | BioPortfolio

Summary of "Screening tools for the bioconcentration potential of monovalent organic ions in fish."

Currently the bioaccumulation potential of organic chemicals is assessed in a first tier approach via their octanol-water partition coefficient. This approach has been developed for neutral chemicals and cannot work for ionizable and ionic chemicals because the latter have different sorption-mechanisms and -preferences. Thus, suitable screening tools for the bioconcentration potential of ionic and ionizable chemicals need to be developed because it cannot be expected that these chemicals are non-bioaccumulative per se. Here, we present such screening tools for monovalent ions and ionizable chemicals based on calibrated sorption models for membrane lipids, structural proteins and albumin. The molecular descriptors used for these models arise from quantum chemical calculations and are based on COSMO-RS theory. When we applied our screening tools to 1839 preselected chemicals from the REACH registration data base, we identified 187 chemicals as potentially bioconcentrating (still ignoring any kind of metabolism). Among these were carbon and sulphur based aromatic and aliphatic acids mostly with a rather high molecular surface area. We hope that this outcome will trigger further research on ion specific sorption mechanisms and lead to a re-evaluation of the bioconcentration potential of ionic chemicals.


Journal Details

This article was published in the following journal.

Name: Environmental science. Processes & impacts
ISSN: 2050-7895


DeepDyve research library

PubMed Articles [20919 Associated PubMed Articles listed on BioPortfolio]

Bioconcentration studies with the freshwater amphipod Hyalella azteca: are the results predictive of bioconcentration in fish?

Bioconcentration factors (BCF) for regulatory purposes are usually determined by fish flow-through tests according to technical guidance document OECD 305. Fish bioconcentration studies are time consu...

The importance of bioconcentration into the pelagic food web base for methylmercury biomagnification: A meta-analysis.

Methylmercury (MeHg) transfer from water into the base of the food web (bioconcentration) and subsequent biomagnification in the aquatic food web leads to most of the MeHg in fish. But how important i...

Water temperature and acid pH influence the cytotoxic and genotoxic effects of aluminum in the freshwater teleost Astyanax altiparanae (Teleostei: Characidae).

The toxicity of metals, including aluminum (Al), can be potentiated by temperature and acid pH, a concern in view of the current global warming scenario. The aim of this study was to evaluate the bioc...

Debye screening, overscreening and specific adsorption in solutions of organic ions.

Tetrabutylammonium (TBA) and tetraphenylborate (TPB) ions dissolved in dichloroethane (DCE) are widely used in electrochemistry of liquid-liquid interfaces. Unlike alkali halide solutions in water, TB...

Prediction of bioconcentration factors in fish and invertebrates using machine learning.

The application of machine learning has recently gained interest from ecotoxicological fields for its ability to model and predict chemical and/or biological processes, such as the prediction of bioco...

Clinical Trials [5394 Associated Clinical Trials listed on BioPortfolio]

Fish or Nuts? Dietary Effects on Cardiometabolic Risk Factors and Persistent Organic Pollutants

Obesity represents one of the most important public health challenges for the societies. Although excess energy intake and physical inactivity are major causes of obesity and cardiometabol...

Study of Different Formulations of an Intramuscular A/H5N1 Inactivated, Split Virion Influenza Adjuvanted Vaccine

Following the licensure of sanofi pasteur's 90 µg rgA/Vietnam/1203/2004 pandemic influenza vaccine, efforts to develop a lower antigen dose formulation with improved immunogenicity using ...

Evaluation of Potential Screening Tools for Metabolic Body Odor and Halitosis

This study is designed as a prospective cohort study to evaluate the potential of diagnostic procedures in defining populations of patients self-reporting unexpected and uncontrollable epi...

A Phase I/II Safety and Immunogenicity Trial of UBI Microparticulate Monovalent (HIV-1 MN) Branched Peptide Vaccine in HIV-1 Seronegative Human Subjects

To evaluate the safety and immunogenicity of a combination of microparticulate monovalent HIV-1 MN synthetic branched peptide candidate vaccine for oral administration and monovalent HIV-1...

Effects of Microcrystalline Titanium Dioxide With Covalently Linked Monovalent Silver Ions on Complications After Total Hysterectomy

Total hysterectomy is one of the most performed surgical procedures in the world and it is associated with post-operative complications. The postoperative morbidity rate is estimated to va...

Medical and Biotech [MESH] Definitions

Solution titration in which the end point is read from the electrode-potential variations with the concentrations of potential determining ions. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)

The identification of selected parameters in newborn infants by various tests, examinations, or other procedures. Screening may be performed by clinical or laboratory measures. A screening test is designed to sort out healthy neonates (INFANT, NEWBORN) from those not well, but the screening test is not intended as a diagnostic device, rather instead as epidemiologic.

A class of ionotropic glutamate receptors characterized by affinity for N-methyl-D-aspartate. NMDA receptors have an allosteric binding site for glycine which must be occupied for the channel to open efficiently and a site within the channel itself to which magnesium ions bind in a voltage-dependent manner. The positive voltage dependence of channel conductance and the high permeability of the conducting channel to calcium ions (as well as to monovalent cations) are important in excitotoxicity and neuronal plasticity.

A subclass of ORGANIC ANION TRANSPORTERS whose transport of organic anions is driven either directly or indirectly by a gradient of sodium ions.

A subclass of ORGANIC ANION TRANSPORTERS that do not rely directly or indirectly upon sodium ion gradients for the transport of organic ions.

Quick Search


DeepDyve research library

Searches Linking to this Article