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Arbuscular mycorrhizal fungi alter Hg root uptake and ligand environment as studied by X-ray absorption fine structure
Alojz Kodre, Iztok Arčon, Marta Debeljak, Mateja Potisek, Matevž Likar, Katarina Vogel-Mikuš, 2017, original scientific article

Abstract: Mercury (Hg) – plant – fungal interactions are only poorly studied. Hg speciation and ligand environment in maize roots inoculated with arbuscular mycorrhizal (AM) fungi were investigated in order to better understand the role of AM in Hg soil to root transfer. The maize plants were grown in Hg polluted substrate (50 mg g1 as dissolved HgCl2) and inoculated with AM fungi originating from: a) highly Hg polluted environment of a former Hg smelting site in Idrija, Slovenia, (Glomus sp. – sample AmI), and b) non-polluted environment (commercial AM inoculum Symbivit1 – sample AmC). Hg speciation and ligand environment in maize roots was studied by Hg-L3 XANES and EXAFS with emphasis on XAS methodology – modelling and fitting the XAFS spectra to extract in a reliable way as much information on Hg coordination as possible. The AmI plants developed more arbuscules and less vesicles than the AmC plants, and also accumulated more Hg in the roots. A clear difference in Hg coordination between the AM (AmC & AmI) and the control (ConC & ConI) plants is recognized in Hg L3-edge EXAFS analysis: in the ConC & ConI maize roots 73–80% of Hg is attached between two sulphur atoms at the distance of 2.34 Å. The remaining ligand is nitrogen at 2.04 Å. In AmI & AmC roots another Hg-S attachment encompassing four thiol groups at the S-distance of 2.50 Å are identified, accounting for 21–26%. AM fungi can modify Hg ligand environment in plant roots, thus playing an important role in biogeochemical cycling of Hg in terrestrial ecosystems.
Found in: ključnih besedah
Keywords: EXAFS XANES Arbuscular mycorrhiza Phytoremediation Toxicity Hg coordination Ligand environment
Published: 27.09.2016; Views: 3893; Downloads: 0
.pdf Fulltext (1,82 MB)

In silico generation of peptides by replica exchange Monte Carlo: Docking-based optimization of maltose-binding-protein ligands
Anna Russo, Pasqualina Liana Scognamiglio, Rolando Pablo Hong Enriquez, Carlo Santambrogio, Rita Grandori, Daniela Marasco, Antonio Giordano, Giacinto Scoles, Sara Fortuna, 2015, original scientific article

Abstract: Short peptides can be designed in silico and synthesized through automated techniques, making them advantageous and versatile protein binders. A number of docking-based algorithms allow for a computational screening of peptides as binders. Here we developed ex-novo peptides targeting the maltose site of the Maltose Binding Protein, the prototypical system for the study of protein ligand recognition. We used a Monte Carlo based protocol, to computationally evolve a set of octapeptides starting from a polialanine sequence. We screened in silico the candidate peptides and characterized their binding abilities by surface plasmon resonance, fluorescence and electrospray ionization mass spectrometry assays. These experiments showed the designed binders to recognize their target with micromolar affinity. We finally discuss the obtained results in the light of further improvement in the ex-novo optimization of peptide based binders.
Found in: ključnih besedah
Summary of found: ...prototypical system for the study of protein ligand recognition. We used a Monte Carlo based...
Keywords: peptides, docking, optimisation, computation, maltose binding protein, probe, ligand
Published: 12.10.2016; Views: 2387; Downloads: 97
.pdf Fulltext (4,27 MB)

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