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PhD topics for academic year 2021/2022

Department of Analytical Chemistry

Faculty of Chemical Engineering

High resolution spectroscopy in the THz and MW regions

Urban Štěpán, prof. RNDr. CSc. ( urb...@vscht.cz)
Kania Patrik, Ing. Ph.D. ( kan...@vscht.cz)
Faculty of Chemical Engineering

Alteration of materials on the clay cement interface

Řezanka Pavel, doc. RNDr. Ing. Ph.D. ( pav...@vscht.cz)
Department of Analytical Chemistry
Faculty of Chemical Engineering

A Systematic State of the Art Method Development Strategy for the Determination of Pharmaceutical Genotoxic Impurities

Řezanka Pavel, doc. RNDr. Ing. Ph.D. ( pav...@vscht.cz)
Douša Michal, Mgr. Ph.D. ( mic...@zentiva.com)
Department of Analytical Chemistry
Faculty of Chemical Engineering

Development of analytical methods for forensic analysis of nuclear materials

Řezanka Pavel, doc. RNDr. Ing. Ph.D. ( pav...@vscht.cz)
Němec Mojmír, doc. Ing. Ph.D. ( moj...@fjfi.cvut.cz)
Department of Analytical Chemistry
Faculty of Chemical Engineering

Development of computer interpretation of nuclear magnetic resonance spectra for molecular structure elucidation.

Dolenský Bohumil, doc. Ing. Ph.D. ( dol...@vscht.cz)
Determination of molecular structure by means of computer programs, especially from NMR spectra, nowadays surpasses man not only in speed but also in accuracy. However, the interpretation of experimental spectra remains an unresolved part of molecular structure determination. The aim of this work is to process 1D and 2D NMR spectra using own algorithms that enable automated determination of molecular structure of studied compounds.
Department of Analytical Chemistry
Faculty of Chemical Engineering

Development of computer interpretation of nuclear magnetic resonance spectra for molecular structure elucidation.

Dolenský Bohumil, doc. Ing. Ph.D. ( dol...@vscht.cz)
Determination of molecular structure by means of computer programs, especially from NMR spectra, nowadays surpasses man not only in speed but also in accuracy. However, the interpretation of experimental spectra remains an unresolved part of molecular structure determination. The aim of this work is to process 1D and 2D NMR spectra using own algorithms that enable automated determination of molecular structure of studied compounds.
Department of Analytical Chemistry
Faculty of Chemical Engineering

Development of digital human scent signatures database

Urban Štěpán, prof. RNDr. CSc. ( urb...@vscht.cz)
Ladislavová Nikola, Ing. ( lad...@vscht.cz)
Department of Analytical Chemistry
Faculty of Chemical Engineering

Development of electrochemical methods for forensic analysis of psychoactive compounds

Šiškanova Taťjana, doc. Mgr. CSc. ( shi...@vscht.cz)
Cuřínová Petra, Ing. Ph.D. ( cur...@icpf.cas.cz)
Department of Analytical Chemistry
Faculty of Chemical Engineering

Development of high pressure Raman and Raman optical activity spetroscopy

Bouř Petr, prof. RNDr. CSc. ( b...@uochb.cas.cz)
Vibrational spectra at high pressures, such as of biologically relevant molecules, provides insight into molecular structure and interactions. We will measure Raman spectra of model systems in the diamond pressure cell and interpret the spectra based on molecular dynamics simulations. We will also try to further develop the technique so that new information can be obtained using differential scattering of left and right circularly polarized light (Raman optical activity).
Department of Analytical Chemistry
Faculty of Chemical Engineering

Development of high pressure Raman and Raman optical activity spetroscopy

Bouř Petr, prof. RNDr. CSc. ( b...@uochb.cas.cz)
Vibrational spectra at high pressures, such as of biologically relevant molecules, provides insight into molecular structure and interactions. We will measure Raman spectra of model systems in the diamond pressure cell and interpret the spectra based on molecular dynamics simulations. We will also try to further develop the technique so that new information can be obtained using differential scattering of left and right circularly polarized light (Raman optical activity).
Department of Analytical Chemistry
Faculty of Chemical Engineering

Development of Lanthanide Luminescent Complexes for Raman Spectroscopy and Imaging

Bouř Petr, prof. RNDr. CSc. ( b...@uochb.cas.cz)
Wu Tao, Ph.D. ( tao...@uochb.cas.cz)
Lanthanide luminescent complexes seem to be very suitable for imaging of living cells by the Raman microscopy. For example, they are more stable and spectra are more specific than for organic dyes. We will further improve their functionality so they will bind to specific biomolecules or cellular structures. Spectroscopic properties, such as fluorescent quantum yield, will be optimized as well. The work will include organic synthesis, characterization of the spectroscopic response, e.g., upon interaction with proteins and nucleic acids, and polarization measurements with left- and right-circularly polarized light.
Department of Analytical Chemistry
Faculty of Chemical Engineering

Development of Lanthanide Luminescent Complexes for Raman Spectroscopy and Imaging

Bouř Petr, prof. RNDr. CSc. ( b...@uochb.cas.cz)
Lanthanide luminescent complexes seem to be very suitable for imaging of living cells by the Raman microscopy. For example, they are more stable and spectra are more specific than for organic dyes. We will further improve their functionality so they will bind to specific biomolecules or cellular structures. Spectroscopic properties, such as fluorescent quantum yield, will be optimized as well. The work will include organic synthesis, characterization of the spectroscopic response, e.g., upon interaction with proteins and nucleic acids, and polarization measurements with left- and right-circularly polarized light.
Department of Analytical Chemistry
Faculty of Chemical Engineering

Development of methodology for processing and evaluation of signals from biospectroscopic analyses for clinical use

Setnička Vladimír, prof. Ing. Ph.D. ( set...@vscht.cz)
Habartová Lucie, Ing. Ph.D. ( luc...@vscht.cz)
Spectroscopic methods have been gradually more often utilized in analyses of clinical samples, resulting in large volumes of multidimensional data. The dissertation will be focused on the automation of individual steps from the pre-analytical phase to the statistical evaluation of the acquired data with the aim to achieve the highest possible repeatability and reproducibility. The student will actively participate in the analyses of biological samples (blood plasma, tissues) using vibrational and chiroptical spectroscopy, specifically infrared absorption, Raman spectroscopy, electronic circular dichroism and Raman optical activity. The thesis will also address the need of effective processing of large amounts of extensive data sets. For this, algorithms will be developed in order to facilitate the processing of the acquired spectra and subsequent multivariate statistical analysis thereof. The dissertation will be realized within cooperation with clinical workplaces of the General University Hospital in Prague, and Military University Hospital.
Department of Analytical Chemistry
Faculty of Chemical Engineering

Development of portable apparatus for a contactless collection of genetic and scent samples

Urban Štěpán, prof. RNDr. CSc. ( urb...@vscht.cz)
Kania Patrik, Ing. Ph.D. ( kan...@vscht.cz)
Department of Analytical Chemistry
Faculty of Chemical Engineering

High resolution spectroscopy in the THz region

Urban Štěpán, prof. RNDr. CSc. ( urb...@vscht.cz)
Kania Patrik, Ing. Ph.D. ( kan...@vscht.cz)
Department of Analytical Chemistry
Faculty of Chemical Engineering

Chemical composition of human scents and its correlation with the blood groups of individuals.

Urban Štěpán, prof. RNDr. CSc. ( urb...@vscht.cz)
Ladislavová Nikola, Ing. ( lad...@vscht.cz)
Department of Analytical Chemistry
Faculty of Chemical Engineering

Chirooptical spectroscopy in microwave region: Development and performance of the experiment

Urban Štěpán, prof. RNDr. CSc. ( urb...@vscht.cz)
Kania Patrik, Ing. Ph.D. ( kan...@vscht.cz)
Department of Analytical Chemistry
Faculty of Chemical Engineering

Chiroptical studies of natural compounds and their derivatives

Setnička Vladimír, prof. Ing. Ph.D. ( set...@vscht.cz)
Králík František, Ing. Ph.D. ( fkr...@seznam.cz)
Methods of chiroptical (circular dichroism and Raman optical activity) and vibrational (infrared absorption and Raman scattering) spectroscopy will be applied for conformational analysis and investigation of physicochemical properties of natural compounds, e.g. alkaloids, saccharides, steroids, growth hormone fragments etc., and their derivatives. For instance, new substances with a promising potential for medical and biochemical applications will be synthesized in cooperation with the Institute of Chemical Process Fundamentals of the Czech Academy of Sciences. Experimental spectra will be interpreted by means of quantum chemical calculations and a detailed description of 3D structures and corresponding properties of the studied compounds will be performed.
Department of Analytical Chemistry
Faculty of Chemical Engineering

Interaction of selected tracers with cementitious materials

Řezanka Pavel, doc. RNDr. Ing. Ph.D. ( pav...@vscht.cz)
Večerník Petr, Ing. Ph.D.
Department of Analytical Chemistry
Faculty of Chemical Engineering

Preparation and electrochemical studies of polymer layers for bioanalytical applications

Šiškanova Taťjana, doc. Mgr. CSc. ( shi...@vscht.cz)
Cuřínová Petra, Ing. Ph.D. ( cur...@icpf.cas.cz)
Department of Analytical Chemistry
Faculty of Chemical Engineering

Preparation of solid surfaces with a molecular receptor covalently anchored, and studies of their usability in sensors construction.

Dolenský Bohumil, doc. Ing. Ph.D. ( dol...@vscht.cz)
The aim of this work is to modify the chemical structure of molecular receptors functional in solution so that they can be covalently attached to a solid surface or prepare a polymer. Study the functionality and usability of such materials for sensor construction.
Department of Analytical Chemistry
Faculty of Chemical Engineering

Preparation of solid surfaces with a molecular receptor covalently anchored, and studies of their usability in sensors construction.

Dolenský Bohumil, doc. Ing. Ph.D. ( dol...@vscht.cz)
The aim of this work is to modify the chemical structure of molecular receptors functional in solution so that they can be covalently attached to a solid surface or prepare a polymer. Study the functionality and usability of such materials for sensor construction.
Department of Analytical Chemistry
Faculty of Chemical Engineering

Spectroscopic analysis of biologically active compounds in the solid state

Bouř Petr, prof. RNDr. CSc. ( b...@uochb.cas.cz)
Kaminský Jakub, Ing. Ph.D. ( kam...@uochb.cas.cz)
Drugs, food components or other biologically active substances often need to be analyzed in the solid state. We will concentrate on the detection of model systems using infrared and Raman spectroscopic methods. These methods are relatively easy to use, but may have sensitivity limits, require special sample preparations and the interpretation of the spectra can be difficult. In the project, we will try to complete unpolarized measurements by vibrational optical activity and develop computational and simulation tools for prediction and interpretation of the spectra.
Department of Analytical Chemistry
Faculty of Chemical Engineering

Spectroscopic analysis of biologically active compounds in the solid state

Bouř Petr, prof. RNDr. CSc. ( b...@uochb.cas.cz)
Kaminský Jakub, Ing. Ph.D. ( kam...@uochb.cas.cz)
Drugs, food components or other biologically active substances often need to be analyzed in the solid state. We will concentrate on the detection of model systems using infrared and Raman spectroscopic methods. These methods are relatively easy to use, but may have sensitivity limits, require special sample preparations and the interpretation of the spectra can be difficult. In the project, we will try to complete unpolarized measurements by vibrational optical activity and develop computational and simulation tools for prediction and interpretation of the spectra.
Department of Analytical Chemistry
Faculty of Chemical Engineering

Study of compounds abused for doping by LC-MS

Sýkora David, doc. Dr. RNDr. ( syk...@vscht.cz)
Kuchař Martin, doc. Ing. Ph.D. ( mar...@vscht.cz)
Department of Analytical Chemistry
Faculty of Chemical Engineering

Study of conformation and solvation envelops of bioactive compounds in solution via NMR

Dolenský Bohumil, doc. Ing. Ph.D. ( dol...@vscht.cz)
The work deals with conformations and solvation envelopes of biologically important substances (drugs) using NMR. The aim is to develop experimental methods to obtain detailed information about the conformers of substances in solution, and their interaction with solvent molecules or solutes. The aim is to correlate the information obtained with the structure of substances in the crystals, physicochemical properties and biological activity.
Department of Analytical Chemistry
Faculty of Chemical Engineering

Study of conformation and solvation envelops of bioactive compounds in solution via NMR

Dolenský Bohumil, doc. Ing. Ph.D. ( dol...@vscht.cz)
The work deals with conformations and solvation envelopes of biologically important substances (drugs) using NMR. The aim is to develop experimental methods to obtain detailed information about the conformers of substances in solution, and their interaction with solvent molecules or solutes. The aim is to correlate the information obtained with the structure of substances in the crystals, physicochemical properties and biological activity.
Department of Analytical Chemistry
Faculty of Chemical Engineering

Study of pharmacokinetics and metabolism of psychoactive compounds by LC-MS

Sýkora David, doc. Dr. RNDr. ( syk...@vscht.cz)
Kuchař Martin, doc. Ing. Ph.D. ( mar...@vscht.cz)
Department of Analytical Chemistry
Faculty of Chemical Engineering

Study of potential pharmaceuticals based on lipopeptides by LC-MS

Sýkora David, doc. Dr. RNDr. ( syk...@vscht.cz)
Maletínská Lenka, RNDr. CSc. ( len...@uochb.cas.cz)
Department of Analytical Chemistry
Faculty of Chemical Engineering

Theory and interpretation of molecular optical activity spectra

Bouř Petr, prof. RNDr. CSc. ( b...@uochb.cas.cz)
Spectroscopy using molecular optical activity is indispensible in analytical chemistry of chiral compounds. Interpretation of the spectra is often based on their simulations by methods of computational chemistry. However, for many cases, special theory and procedures need to be used which are not available in common software. We will concentrate on resonance molecular phenomena and develop protocols suitable for interpretation of enhanced vibrational circular dichroism and resonance Raman optical activity. The theoretical procedures will be tested with experimental data.
Department of Analytical Chemistry
Faculty of Chemical Engineering

Theory and interpretation of molecular optical activity spectra

Bouř Petr, prof. RNDr. CSc. ( b...@uochb.cas.cz)
Spectroscopy using molecular optical activity is indispensible in analytical chemistry of chiral compounds. Interpretation of the spectra is often based on their simulations by methods of computational chemistry. However, for many cases, special theory and procedures need to be used which are not available in common software. We will concentrate on resonance molecular phenomena and develop protocols suitable for interpretation of enhanced vibrational circular dichroism and resonance Raman optical activity. The theoretical procedures will be tested with experimental data.
Department of Analytical Chemistry
Updated: 11.12.2019 11:36, Author: Jan Kříž

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