Projects / Programmes
January 1, 2015
- December 31, 2021
| Code |
Science |
Field |
Subfield |
| 1.04.00 |
Natural sciences and mathematics |
Chemistry |
|
| Code |
Science |
Field |
| P003 |
Natural sciences and mathematics |
Chemistry |
| Code |
Science |
Field |
| 1.04 |
Natural Sciences |
Chemical sciences |
Water, solutions, surfactants, polyelectrolytes, ionic liquids, strongly associating systems, microporous materials, nucleic acids, thermodynamics, transport properties, statistical mechanics, light scattering (X-ray, static, dynamic), calorimetry (batch, flow, ITC, DSC), CD.
Researchers (35)
Organisations (1)
Abstract
The aim of science is to explain the processes in nature and technology on the basis of atoms and molecules and their interaction. Insufficient understanding on the molecular level is a bottleneck in development of new medical treatments, drugs and materials. We can see the technological advances as a pyramid; the base is formed by fundamental sciences like chemistry, biology, physics, mathematics, including physical chemistry. Top of the pyramid is occupied by apllied sciences such as pharmacy and medicine. One can build high pyramid only if the base is wide enough; without solid basic knowledge, the application is weak. The research proposed here is focused on solutions (mostly ionic), dispersions and their interaction with surfaces. It should contribute toward better understanding of solutions (including biopolymers) and form the basis for the applied research. Research gives us an opportunity to improve our knowledge of physical chemistry and use it in the classrooms.
Research proposal can be divided into several parts. i) Study of simple and polymer electrolytes. Here we wish to explore the effect of counterion, added salt and hydrophobic groups on solution's properties. ii) These experimental and theoretical studies pass into study of surfactants and micelles. We would like to understand the effect of added electrolyte on micellization. We are also interested in the complexation of polyelectrolytes with surfactants of opposite charge or other polyelectrolytes (e.g. DNA). Part of research is devoted to ionic liquids. iii) Big part of our research concerns biopolymers, especially intrinsically disordered proteins and DNA (G-quadruplex structures), which play an important role various cellular processes. iv) Investigations of anomalous properties of water, alcohols and ionic liquids. We are interested in solvation of various simple and complex solutes. We will use methods of statistical thermodynamics, such as simulations Monte Carlo, molecular dynamics and integral equations. v) Part of research will be devoted to the use and development of theory based on Wertheim's Ornstein-Zernike (OZ) equation. This theory is particularly suited for systems of particles with highly directional forces. vi) We will use theoretical approach to study systems, where some degrees of freedom are frozen, or systems where one component has much smaller mobility than another, i.e. partly quenched systems. Such systems will be studied using replica OZ integral equation, that we developed especially for ionic systems.
In case we received additional funding, we plan to investigate physico-chemical aspects of toxin-antitoxin modules.
Significance for science
The studies presented here shall with the help of modern experimental techniques and theoretical methods enrich our basic knowledge in the physical chemistry of solutions and dispersions. Aqueous solutions of electrolytes and (bio)polyelectrolytes 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 the 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 (Laufer Center and Stony Brook University, USA) we have been awarded the National Institutes of Health (USA) grant for 12 consecutive years. This year we are renewing the application. Members of the group published papers in recognized journals such as: Proc. Natl. Acad. Sci., J. Am. Chem. Soc. (2 publications in last year), Annu. Rev. Phys. Chem., Annu. Rev. Biophys. Biomol. Struct., Trends. Biochem. Sci., Angew. Chem. Int. Ed., 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., J. Am. Chem. Soc., PCCP, etc. Prof. M. Bešter-Rogač is the member of the Editorial Board at Journal of Molecular Liquids (Elsevier) and Acta Chimica Slovenica. Prof. V. Vlachy is a member of the Editorial Board at Condensed Matter Physics (ICMP, Ukraine).
Significance for the country
The researchers participating in this project are members of the Physical chemistry Chair
at FCCT University of Ljubljana where we serve as educators. We are teaching close to 30 subjects from physical chemistry and related fields. 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 Helios, Lek (Novartis group), Krka d.d, and BIA Separations. Four our recent PhD students got their jobs in the pharmaceutical companies Lek (2) and Krka, d.d (2) in last 5 years. In summary, our group is engaged in physical chemistry research 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. One is by mentoring the high school students , which with great success compete in the International Chemistry Olympiad. The publications published in distinguished journals and lectures at conferences and universities abroad contribute toward putting Slovenia on the map. After the Faculty is moving on the new location (June-August 2014) the group will form a "Regional center for solution research", because solutions are the main topic of our research.
Most important scientific results
Annual report
2015,
interim report
Most important socioeconomically and culturally relevant results
Annual report
2015,
interim report
