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Services

 

Nanochemistry:

- Functionalization of nanotubes
- Organiic synthesis
- Polyelectrolytes
- TEM imaging

Environmental chemistry:

- Analysis of pollutants
- Purification methods
- Soil and water samples

 

Research Areas

- Toxicology
- Energy Sciences
- Pollution dynamics
- Water pollution circulation
- Life cycle of pollutants
- Heavy Metals
- Molecular interactions
- Environmental remediation
- Waste management
- Exotic Materials

 

 

Fjordforsk A.S. Midtun, 6894 Vangsnes, Norway.
Org.nr: 911659654 | www.fjordforsk.no

Computational profiling of PFC-susceptible proteins in the human proteome.

 

Collaborating Institute:

The University of Uppsala, Science of Life Laboratory. Dept. of Cell & Molec. Biol., Uppsala University. Box 596, 75124 Uppsala, Sweden.

Project leader. Prof D. van der Spoel.

Project duration: 2016 -

 

Project description:

Perfluorinated compounds are emerging pollutants which have been released in the environment for decades, and have been recently found to accumulate in bioorganisms, fish, animals, humans, and entire food-chains. Given their persistent chemistry, PFCs have raised concern in the ecotoxicology field and call for more studies, given their suspected effects in causing cancer, neurotoxicity, infertility and other, recently emerging toxic effects. This project devices the use of supercomputers to perform a high-count proteomic analysis of the chemistry of interaction between PFCs and serological, cellular and other biological factors associated with the path of exposure to PFCs for multicellular organisms, in order to reveal and study the accurate modes of toxicity that PFCs cause on living organisms.

 

 

Keywords. Supercomputers, PFOS, perfluorinated compounds, biochemistry, molecular toxicology mechanisms, GROMACS, REACH, EHS.

 

Participants: Manzetti S., van der Spoel D., Ghahremanpour M.

 

Publications:

 

Manzetti S. (2017). Bonding of Butylparaben, Bis(2-ethylhexyl)-phthalate, and Perfluorooctanesulfonic Acid to DNA: Comparison with Benzo[a]pyrene Shows Low Probability for Strong Noncovalent DNA Intercalation. Chemical Research in Toxicology, in press. http://dx.doi.org/10.1021/acs.chemrestox.7b00265

Yildirim A, Zhang J, Manzetti S and van der Spoel D. (2016): Binding of Pollutants to Biomolecules - A Simulation Study. Chem. Res. Toxicol., DOI: 0.1021/acs.chemrestox.6b00189. In press

 

 

Figure. Electrostatic properties of the perfluorooctanatesulfonic acid molecule. Click to enlarge.

 

 

 

 

 

 

 

 

 

 

 

 

News

 

22 Jun.: Publication of a survey of rogue wave phenomena in fiberoptics and oceanic systems. Read more.

24. Feb. : New study on the current and emerging approaches in applied quantum physics in computation and new technologies. Read more.

1 Dec.: Study of the DNA-binding affinity of parabens, phthalates and perfluorinated compounds publshed at the American Chemical Society. Read more

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