Introducing MOLE 2.0
13.04.2012 -
A collaborative paper by authors of the doc. Otyepka's (RCPTM) and prof. Koca's (Masaryk University) research teams was accepted for publication in the prestigious journal Nucleic Acids Research (IF2010 = 7.836). This paper deals with software Mole 2.0. This software is an universal toolkit for rapid and fully automated location and characterization of channels, tunnels and pores in (bio)macromolecular structures. More informations on Mole 2.0 homepage.
Cover Art of Journal of Chemical Theory and Computation
11.04.2012 -
A recent paper written by RCPTM sicentists has been chosen as a Cover Art of Journal of Chemical Theory and Computation (IF2010 = 5,138). Atomistic molecular dynamics (MD) simulations of drug-like molecules embedded in lipid bilayers are of considerable interest as models for drug penetration and positioning in biological membranes. Here we analyze partitioning of coumarin in dioleoylphosphatidylcholine (DOPC) bilayer, based on both multiple, unbiased 3 μs MD simulations (total length) and free energy profiles along the bilayer normal calculated by biased MD simulations (7 μs in total). Based on the MD simulations, we recommend a suitable protocol to gain convergent free energy profiles.
New project in RCPTM: Environmental Friendly Nanotechnologies and Biotechnologies in Water and Soil Treatment
5.04.2012 -
RCPTM proudly announces the new project. We were successful in evaluation of new environmental project called “Environmental Friendly Nanotechnologies and Biotechnologies in Water and Soil Treatment” with total costs 14 mil EUR in 8 years. Project intention is to establish the NANOBIOWAT Center connecting potentials of 3 academic and 6 industrial subjects in order to develop and implement ecologically friendly nanotechnologies and biotechnologies for treatment of a variety of water types (ground, drinking, waste and surface water) with possibility to remove organic, inorganic and microbial pollution. Project strategic objective is to reinforce position of the Czech Republic as European leader in the field of water/soil treatment. The strategic objective of the NANOBIOWAT project is to establish the Center realizing a regular transfer of the research and development results into the industrial practice, thus reinforcing the position of the Czech Republic as an European leader in the field of advanced technologies of water and soil treatment which carry an immense potential to be applied at the national and world market. In order to accomplish this strategic objective, new technologies and biotechnologies will be developed, patented, verified and implemented at the market. They will be focused on the treatment of a wide range of waters including groundwater, drinking water, industrial and surface water and for removal of pollutants such as organic and inorganic compounds, heavy metals, radioactive compounds, endocrine disruptors, pescidides and microbial pollution.
The researchers of RCPTM have design a novel and unique nanoscale zerovalent iron-employing technology to tackle with the cyanobacteria issue
4.03.2012 -
The cyanobacteria are currently being considered as one of major threats to water resource worldwide. There has been a lot of effort devoted to cope with this problem proposing various technologies being effective, cheap and ecologically friendly to the ecosystem. Recently, a novel method meeting all the above-mentioned requirements has been proposed by the researchers of RCPTM and published in the Environmental Science and Technology journal (see Marsalek et al., Environ. Sci. Technol. 2012, 46, 2316-2323). This technology employs nanoscale zerovalent iron (nZVI), which has been identified as a potentially useful multipronged weapon for use against cyanobacterial water blooms. It has been shown that the treatment with nanoparticles of zerovalent iron is an effective and environmentally benign method for destroying and preventing the formation of cyanobacterial water blooms. The nanoparticles have multiple modes of action, including the removal of bioavailable phosphorus, the destruction of cyanobacterial cells, and the immobilization of microcystins, preventing their release into the water column. Ecotoxicological experiments showed that nZVI is a highly selective agent, being nontoxic to other biological water species including algae, daphnids, water plants and fishes. The primary product of nZVI treatment is nontoxic and highly aggregated Fe(OH)3 compound which helps promote flocculation and gradual settling of the decomposed cyanobacterial biomass.
National patent: Copper complexes with the 2-phenyl-3-hydroxyquinolin-4(1H)-one derivatives
29.02.2012 -
The scientists from Palacký University in Olomouc have achieved further significant advancement in the research of novel highly effective potential anticancer drugs. In the national patent entitled “Copper complexes with the 2-phenyl-3-hydroxyquinolin-4(1H)-one derivatives, method of their preparation and use of these complexes as drugs in antitumour therapy” (CZ 303009 B6), which arose from the collaboration of the researchers from the Regional Centre of Advanced Technologies and Materials (RCPTM), Department of Inorganic Chemistry and Department of Cell Biology and Genetics, Faculty of Science, Palacký University, namely prof. Zdeněk Trávníček, Dr. Roman Buchtík, prof. Zdeněk Dvořák and Dr. Ján Vančo, the method of preparation of new compounds as well as their potential use as anticancer drugs is legally protected. The significant antitumour activity of the patented compounds was proved on a series of eight human cancer cell lines. These results of anticancer activity on cell models are so promising that the compounds will be further intensively studied on animal models and the mechanisms of their action will be studied on the molecular level. The studied compounds, thanks to their broad-spectrum cancerostatic action, have a potential to become an alternative to the commonly used platinum-based cytostatic drugs in the future.