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Projects / Programmes source: ARIS

Physical Chemistry

Periods
Research activity

Code Science Field Subfield
1.04.00  Natural sciences and mathematics  Chemistry   

Code Science Field
P400  Natural sciences and mathematics  Physical chemistry 

Code Science Field
1.04  Natural Sciences  Chemical sciences 
Keywords
Thermodynamics, calorimetry, spectroscopy, transport properties, electrolyte solutions, polyelectrolytes, polyampholites, surfactants, proteins, nucleic acids, microemulsions, SAXS, water, solvation, hydrophobic interaction, statistical thermodynamics, computer simulations, adsorption, integral equations.
Evaluation (rules)
source: COBISS
Researchers (41)
no. Code Name and surname Research area Role Period No. of publicationsNo. of publications
1.  18078  Vesna Arrigler    Technical associate  2013 - 2014  31 
2.  34341  PhD Elizabeta Benigar  Chemistry  Junior researcher  2011 - 2014  12 
3.  04657  PhD Marija Bešter Rogač  Chemistry  Researcher  2009 - 2014  456 
4.  26546  PhD Alan Bizjak  Pharmacy  Researcher  2009 - 2010  16 
5.  27881  PhD Matjaž Bončina  Chemistry  Researcher  2010 - 2014  72 
6.  16102  PhD Janez Cerar  Chemistry  Researcher  2009 - 2014  133 
7.  31968  PhD Sašo Čebašek  Chemistry  Junior researcher  2009 - 2013  12 
8.  22603  PhD Jožica Dolenc  Chemistry  Researcher  2009 - 2013  52 
9.  28337  PhD Igor Drobnak  Pharmacy  Researcher  2009 - 2013  58 
10.  37404  PhD Tadeja Gao  Chemistry  Junior researcher  2014  16 
11.  04684  PhD Andrej Godec  Chemistry  Researcher  2009 - 2014  274 
12.  34340  PhD Jure Gujt  Chemistry  Junior researcher  2011 - 2014  26 
13.  34351  PhD Gregor Hostnik  Chemistry  Junior researcher  2011 - 2014  61 
14.  14868  PhD Barbara Hribar Lee  Chemistry  Researcher  2009 - 2014  240 
15.  34342  PhD Matej Huš  Chemical engineering  Junior researcher  2011 - 2014  692 
16.  06776  PhD Andrej Jamnik  Chemistry  Researcher  2009 - 2014  211 
17.  25447  PhD Boštjan Jerman  Chemistry  Researcher  2009 - 2010  23 
18.  36316  PhD Miha Kastelic  Chemical engineering  Junior researcher  2013 - 2014  34 
19.  18196  Anton Kelbl    Technical associate  2009 - 2014 
20.  04614  PhD Ksenija Kogej  Chemistry  Researcher  2009 - 2014  298 
21.  18195  Anton Kokalj    Technical associate  2009 - 2013 
22.  02567  PhD Jože Koller  Chemistry  Researcher  2009 - 2012  259 
23.  31996  PhD Ana Kroflič  Chemical engineering  Researcher  2009 - 2013  157 
24.  15669  PhD Jurij Lah  Chemistry  Researcher  2009 - 2014  334 
25.  29398  PhD Andrej Lajovic  Chemistry  Researcher  2009 - 2012  39 
26.  27882  PhD Miha Lukšič  Chemistry  Researcher  2010 - 2014  218 
27.  33159  PhD Andrej Mernik  Interdisciplinary research  Junior researcher  2010 - 2014  12 
28.  35341  PhD Tomaž Mohorič  Pharmacy  Junior researcher  2012 - 2014  34 
29.  18247  Cirila Peklaj    Technical associate  2009 - 2012 
30.  15293  PhD Črtomir Podlipnik  Chemistry  Researcher  2009 - 2014  217 
31.  02562  PhD Ciril Pohar  Chemistry  Researcher  2009 - 2013  147 
32.  23417  PhD Iztok Prislan  Chemistry  Researcher  2009 - 2014  202 
33.  10983  PhD Jurij Reščič  Chemistry  Researcher  2009 - 2014  149 
34.  31967  PhD Simona Sitar  Chemistry  Junior researcher  2009 - 2013  56 
35.  30336  PhD Bojan Šarac  Chemistry  Researcher  2013 - 2014  104 
36.  26544  PhD Mario Šimić  Mechanical design  Junior researcher  2009  19 
37.  00870  PhD Jože Škerjanc  Chemistry  Researcher  2009 - 2011  209 
38.  21418  PhD Matija Tomšič  Chemistry  Researcher  2009 - 2014  203 
39.  19315  PhD Tomaž Urbič  Chemistry  Researcher  2009 - 2014  312 
40.  00872  PhD Gorazd Vesnaver  Chemistry  Researcher  2009 - 2012  224 
41.  02563  PhD Vojeslav Vlachy  Chemistry  Head  2009 - 2014  370 
Organisations (1)
no. Code Research organisation City Registration number No. of publicationsNo. of publications
1.  0103  University of Ljubljana, Faculty of Chemistry and Chemical Technology  Ljubljana  1626990  23,168 
Abstract
1a) Investigations of aqueous solutions of fullerene based electrolytes are planned (Cerar, Škerjanc). Transport numbers of fullerene-hexamalonate macroion in solutions of different mono- and divalent salts will be measured and, fraction of free ions will be estimated. Experimental results will be compared with the theoretical predictions. SAXS method will be applied to detect eventual presence of aggregates. b) Temperature and concentration dependence of electric conductivity of multivalent electrolytes in water and mixed solvents will be measured (Bešter-Rogač). The limiting conductivities and association constants in diluted solutions will be obtained and the changes in thermodynamic properties will be determined. The results will be used to analyze the data for more concentrated solutions. c) Some stereoregular polyelectrolytes will be synthesized (Kogej), and their thermodynamic and transport properties will be studied. Furthermore, we plan to investigate interactions between polyampholytes and surfactants and the influence of surfactant on the complex formation between polyampholytes and biopolymers in aqueous solutions. d) Osmotic coefficients, enthalpies of dilution, and enthalpies of mixing of ionene solutions with various counterions will be measured at several temperatures (Pohar), and the data will be compared with the theoretical values. The average molecular mass and the radius of gyration will also be determined. 2. We intend to study binding of several antibiotics to DNA using different spectroscopic and calorimetric techniques (Vesnaver, Lah). The results will be compared with the theoretical predictions to learn more about the contributions to the energy and entropy of binding. We wish to investigate how the stability of model G-quadruplexes depends on the DNA sequence and on the nature and concentration of the simple ions present in the solution. We shall proceed with studies of the nature and magnitude of the interactions of substituted amino acids. The energetics of the interactions and stability of the proteins participating in programming the bacteria cell death will be studied. 3. We intend to examine theoretically the binding mechanisms of ligands into the minor groove of DNA, the rules of the molecular recognition of DNA, and to determine thermodynamic binding parameters (Koller, Vesnaver). QM/MM and molecular dynamics methods will be applied. New methods for fast calculation and evaluation of molecular similarity will be considered and applied for potentially pharmacologically interesting structures (Koller, Podlipnik). Structure and reactivity of some polyoxides will be studied. 4. SAXS method will be used to study the structural properties of colloidal dispersions (Jamnik, Bešter-Rogač) and various microemulsions. The systems with interacting scattering structures will be considered theoretically. We also plan the structural investigations of gels. 5. Theoretical study of adsorption in random matrices is planned (Vlachy, Hribar Lee, Urbič). The generalized replica integral equations will be used to study the adsorption for more realistic models of adsorbent. In another project the solvation of chain-like molecules will be investigated using product-reactantant Ornstein-Zernike theory. We will be interested in the properties of confined water (Monte Carlo method, density functional theory). We shall study effects of macroion charge, salt concentration and other parameters on the reaction rate between equally charged species (Vlachy, Reščič). Using the Monte Carlo method we will evaluate the effect of dielectric discontinuity on micellar solution properties. The integral equation theories and Monte Carlo method will be used to study the mixtures of model adhesive liquids (Jamnik).
Significance for science
Our studies enrich basic knowledge in the physical chemistry of solutions and dispersions. Aqueous solutions of electrolytes and (bio)polyelectrolytes (proteins, DNA) play important role in science and technology. Ions, simple and complex, take place in vital processes in our organism. The role of water in these processes, though crucial, is not fully understood yet. Investigation of protein stability in presence of macromolecules and added salts, studies of ligand binding to DNA, or quantum-chemical similarity studies, are important for pharmaceutical industry and in bioengineering. On the other hand, understanding the properties of polyelectrolytes, surfactants and colloids and their interaction with surfaces is important for ecology and industry. Our experimental studies are closely connected with the theoretical ones: the goal is to understand the properties of matter on a molecular level. Our studies are also important for biomedical sciences; together with a group of Professor K.A. Dill (UC San Francisco) we have been awarded the National Institute of Health USA grant for 12 years altogether. Members of the group are not unknown to their colleagues abroad. Our papers were published in recognized journals as: Proc. Natl. Acad. Sci. US, J. Am. Chem. Soc., Annu. Rev. Phys. Chem., Annu. Rev. Biophys. Biomol. Struct., Trends. Biochem. Sci., J. Phys. Chem. B, J. Chem. Phys., J. Stat. Phys., Langmuir, Biochemistry, Biophys. J., and J. Mol. Biology. In addition we held lectures on international conferences and universities. We have joint papers with researchers from more than ten laboratories in the world. Members of the group serve as reviewers for J. Phys. Chem. B and C, Langmuir, J. Chem. Phys., JACS, PCCP, etc.
Significance for the country
The researchers participating in this project are members of the Physical chemistry Chair at FKKT University of Ljubljana were we serve as educators. We are teaching 30 subjects from physical chemistry and related fields, transferring the knowledge to our students. There are around 1000 students from six different Departments taking these classes. All the classes include laboratory practice after all, Chemistry is an experimental science. Doing research the professors and their coworkers acquire new knowledge and communicate it to students. There is no good school without good teachers; we believe that good teachers can be formed through the process of self–education: the process is called research. We have a long standing collaboration with pharmaceutical and chemical companies as Lek (Novartis group), Helios, Krka d.d, and some others. In summary, our group is engaged in research in the field of physical chemistry and in transferring this knowledge to students and to industrial practice. We contribute toward strengthening of the national identity and cultural heritage in several other ways. The publications published in distinguished journals and lectures at conferences and Universities around the World contribute toward »putting Slovenia on the map«.
Most important scientific results Annual report 2009, 2010, 2011, 2012, 2013, final report, complete report on dLib.si
Most important socioeconomically and culturally relevant results Annual report 2009, 2010, 2011, 2012, 2013, final report, complete report on dLib.si
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