Cluster studies in molecular beams

In the present work we study properties of clusters of small heteroatomic molecules with biological relevance by several experimental methods based on molecular beams. In the rst experiment structure and dynamics of size-selected charged pyrrole clusters have been studied by means of molecular beam scattering experiment. Small neutral P yn clusters were produced in Py/He expansions and larger mixed P ynArm clusters in Py/Ar expansions, and the scattering experiment with a secondary beam of He atoms was used to select the neutral clusters of dierent sizes. The complete size-selected fragmentation patterns for the neutral dimer to tetramer after an electron impact ionization at 70 eV from the measurements of the angular and velocity distributions at dierent fragment masses. In second experiment photolysis of size selected pyrrole, imidazole and pyrazole clusters has been investigated. Comparison with the photolysis of an isolated molecules and between studied systems has been made. Clusters were photolyzed at 243 and 193 nm and the kinetic energy distributions of the H-photofragments have been measured and analyzed. Finally the mass spectra of the fragments after multiphoton ionization have been measured. The signicant inuence of the cluster environment to the photolytic behavior was observed and discussed

Structure and dynamics of peptides and proteins in solution: application of Raman optical activity

The thesis inquires the specific and advantageous applications of Raman optical activity (ROA) in wide range of diverse structural and conformational studies of biomolecules and other biologically important molecules. Our investigation was focused on several interconnected topics covering the fields of methodology, basic and applied research. The combination of experimental and theoretical approaches facilitated deeper understanding of studied phenomena, and allowed for the effects of solute-solvent interactions. High-quality spectra of model molecules in the C-H stretching region, acquired as a result of successful extension of ROA measurements to the whole region of fundamental molecular vibrations, enabled verification and further development of methods for ROA spectra simulations encompassing anharmonic corrections. Utilizing spirodilactams with highly nonplanar amide groups, we have traced the specific ROA spectral manifestations of amide nonplanarity. In case of antimicrobial peptide lasiocepsine, we have successfully simulated ROA signals of S-S stretching vibrations which contrary to current belief do not seem to reflect sense of the S-S group torsion. In larger molecular systems, we have better understood the process of the formation of stable polyproline II conformation and proved that ROA may..

Struktura a dynamika peptidů a proteinů v roztoku:aplikace Ramanovy optické aktivity

The thesis inquires the specific and advantageous applications of Raman optical activity (ROA) in wide range of diverse structural and conformational studies of biomolecules and other biologically important molecules. Our investigation was focused on several interconnected topics covering the fields of methodology, basic and applied research. The combination of experimental and theoretical approaches facilitated deeper understanding of studied phenomena, and allowed for the effects of solute-solvent interactions. High-quality spectra of model molecules in the C-H stretching region, acquired as a result of successful extension of ROA measurements to the whole region of fundamental molecular vibrations, enabled verification and further development of methods for ROA spectra simulations encompassing anharmonic corrections. Utilizing spirodilactams with highly nonplanar amide groups, we have traced the specific ROA spectral manifestations of amide nonplanarity. In case of antimicrobial peptide lasiocepsine, we have successfully simulated ROA signals of S-S stretching vibrations which contrary to current belief do not seem to reflect sense of the S-S group torsion. In larger molecular systems, we have better understood the process of the formation of stable polyproline II conformation and proved that ROA may...Práce se zabývá vysoce specifickými a pokročilými aplikacemi Ramanovy optické aktivity (ROA) v široké škále strukturálních a konformačních studií biomolekul a dalších biologicky významných molekul. Náš výzkum byl zaměřen na řadu vzájemně propojených témat zahrnujících oblasti metodiky, základního a aplikovaného výzkumu. Kombinace experimentálního a teoretického přístupu vedla k hlubšímu porozumění studovaných jevů včetně charakterizace účinků interakcí rozpuštěných látek a rozpouštědel. Vysoce kvalitní ROA spektra modelových molekul v oblasti C-H valenčních vibrací, získaná jako důsledek úspěšného rozšíření ROA měření na spektrální oblast zahrnující všechny fundamentálních molekulární vibrace, nám umožnila ověření a další vývoj simulačních metod zahrnujících anharmonické korekce. Na příkladu modelových spirodilaktamů s vysoce neplanárními amidovými skupinami jsme vysledovali specifické ROA spektrální projevy amidové neplanarity. Úspěšně jsme simulovali ROA signál S-S valenčních vibrací antimikrobiálního peptidu lasiocepsinu a zjistili, že navzdory současnému přesvědčení neodrážejí smysl torze S-S skupiny. Ve studiích věnovaných větším molekulárním systémům jsme lépe porozuměli procesu formování stabilní konformace polyprolin II a ukázali jsme, že ROA může pomoci odhalit změny indukované různou sulfatací v...Fyzikální ústav UKInstitute of Physics of Charles UniversityFaculty of Mathematics and PhysicsMatematicko-fyzikální fakult

Cluster studies in molecular beams

In the present work we study properties of clusters of small heteroatomic molecules with biological relevance by several experimental methods based on molecular beams. In the first experiment structure and dynamics of size-selected charged pyrrole clusters have been studied by means of molecular beam scattering experiment. Small neutral Pyn clusters were produced in Py/He expansions and larger mixed PynArm clusters in Py/Ar expansions, and the scattering experiment with a secondary beam of He atoms was used to select the neutral clusters of dierent sizes. The complete size-selected fragmentation patterns for the neutral dimer to tetramer after an electron impact ionization at 70 eV from the measurements of the angular and velocity distributions at dierent fragment masses. In second experiment photolysis of size selected pyrrole, imidazole and pyrazole clusters has been investigated. Comparison with the photolysis of an isolated molecules and between studied systems has been made. Clusters were photolyzed at 243 and 193 nm and the kinetic energy distributions of the H-photofragments have been measured and analyzed. Finally the mass spectra of the fragments after multiphoton ionization have been measured. The significant inuence of the cluster environment to the photolytic behavior was observed and discussed

Emergencies related with using narcotic and psychotropic substances in South Bohemian Region

I chose the topic "Emergencies related with using narcotic and psychotropic substances in South Bohemian Region" for my bachelor thesis. These events are extraordinarily dangerous and overall abuse drugs threatens the healthy development of the whole society. The main objective of empirical quantitative research was descriptively chart development trend of emergencies related with using narcotic and psychotropic substances in South Bohemian Region. Availability of literature to the topic was considerably limited. In the theoretical part I focused on theoretical background, basic concepts regarding with emergencies related with using narcotic and psychotropic substances. Further I wrote overview about the most famous abused drugs and their classification. At the end of this part I mention laws and regulations regarding drugs. The practical part consists of empirical quantitative research whose the main objective was descriptively chart development trend of emergencies related with using narcotic and psychotropic substances in South Bohemian Region. For the method I chose content analysis of the text which I made in a quantitative way. By determining statistical population of texts I analyzed official documents - public available official statistical data of criminality of Police of the Czech Republic and data provided of Police Presidium of the Czech Republic, Department of Computer Science and Information Technology Operation. The research survey in the term of 5 years - 2010 - 2015 I answered on a research problem, defined by using research questions. I concluded that some emergencies are trully committed under the influence of narcotics and psychotropic substances. The research demonstrated upward developmental trend of emergencies committed under the influence of narcotics and psychotropic substances. Finally I summarize the results of bachelor thesis and I recommend its use in practice

Cluster studies in molecular beams

In the present work we study properties of clusters of small heteroatomic molecules with biological relevance by several experimental methods based on molecular beams. In the rst experiment structure and dynamics of size-selected charged pyrrole clusters have been studied by means of molecular beam scattering experiment. Small neutral P yn clusters were produced in Py/He expansions and larger mixed P ynArm clusters in Py/Ar expansions, and the scattering experiment with a secondary beam of He atoms was used to select the neutral clusters of dierent sizes. The complete size-selected fragmentation patterns for the neutral dimer to tetramer after an electron impact ionization at 70 eV from the measurements of the angular and velocity distributions at dierent fragment masses. In second experiment photolysis of size selected pyrrole, imidazole and pyrazole clusters has been investigated. Comparison with the photolysis of an isolated molecules and between studied systems has been made. Clusters were photolyzed at 243 and 193 nm and the kinetic energy distributions of the H-photofragments have been measured and analyzed. Finally the mass spectra of the fragments after multiphoton ionization have been measured. The signicant inuence of the cluster environment to the photolytic behavior was observed and discussed

Cluster studies in molecular beams

In the present work we study properties of clusters of small heteroatomic molecules with biological relevance by several experimental methods based on molecular beams. In the first experiment structure and dynamics of size-selected charged pyrrole clusters have been studied by means of molecular beam scattering experiment. Small neutral Pyn clusters were produced in Py/He expansions and larger mixed PynArm clusters in Py/Ar expansions, and the scattering experiment with a secondary beam of He atoms was used to select the neutral clusters of dierent sizes. The complete size-selected fragmentation patterns for the neutral dimer to tetramer after an electron impact ionization at 70 eV from the measurements of the angular and velocity distributions at dierent fragment masses. In second experiment photolysis of size selected pyrrole, imidazole and pyrazole clusters has been investigated. Comparison with the photolysis of an isolated molecules and between studied systems has been made. Clusters were photolyzed at 243 and 193 nm and the kinetic energy distributions of the H-photofragments have been measured and analyzed. Finally the mass spectra of the fragments after multiphoton ionization have been measured. The significant inuence of the cluster environment to the photolytic behavior was observed and discussed

Summary of interpretations of quantum mechanics

Katedra chemické fyziky a optikyDepartment of Chemical Physics and OpticsMatematicko-fyzikální fakultaFaculty of Mathematics and Physic

Chiroptical Properties and Conformation of Four Lasiocepsin-Related Antimicrobial Peptides: Structural Role of Disulfide Bridges

We report an investigation of the role of disulfide bridges in the 27-residue antimicrobial peptide lasiocepsin (I) containing two disulfide groups (Cys8–Cys25, Cys17–Cys27) and three its analogs lacking one (II, III) or both (IV) native disulfides. Selective alternate incorporation of one or both disulfide bridges influences symmetry, conformation and biological properties of these peptides as demonstrated in their chiroptical (particularly Raman) properties. The effect of modifying the disulfide bridge pattern on the peptide secondary structure is investigated in water and in the presence of 2,2,2-trifluoroethanol and sodium dodecyl sulphate. A combination of experimental electronic and vibrational chiroptical data shows that both disulfide groups are necessary for stabilizing lasiocepsin secondary structure. While the Cys8–Cys25 disulfide group is important for sustaining lasiocepsin tertiary structure and maintaining its biological activity, the Cys17–Cys27 disulfide bridge has a supporting function consisting in reducing peptide flexibility