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Molecular modelling - Structure and Properties of carbene-based catalyst
Kulovaná, Eva ; Zmrzlý, Martin (oponent) ; Richtera, Lukáš (vedoucí práce)
Molecular modelling enables to predict behaviour of the new compounds and helps to interpret experimental data. The objective of our study was the prediction of selected properties of polymerization catalysts based on carbenes, the prediction of their structures and spectral characteristics. To confirm the behaviour of carbenes and their precursors based on chlorides selected characteristics of a molecule were studied. The visualization of selected molecular orbitals and electrostatic potential-mapped electron density surface was made. Subsequently, bond distances and bond angles of selected imidazole and imidazoline compounds and from them prepared “free” carbenes were obtained by using computer programs. Data of structural similar compounds, which have been already characterized, were obtained from CCDC (Cambridge Crystallographic Data Centre) and were compared with our calculated data. Infrared (IR) and Raman spectra of the imidazole salt and the infrared spectrum of the appropriate carbene were measured. The spectra measured were compared with predicted spectra.
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Microscopic characterization of graphene material and electronic quality across neighbouring, differently oriented copper grains
Čermák, Jan ; Yamada, T. ; Ganzerová, Kristína ; Rezek, Bohuslav
We study graphene grown across the boundary of three such grains having bright, medium, and dark color in reflection. Raman micro-spectroscopy proves presence of mostly a monoor bi-layer graphene on all the grains. Yet intensity of Raman 2D band is grain-dependent: highest at the darkest grain and lowest at the brightest one. Contrary, conductive atomic force microscopy detects the highest conductivity at the brightest grain and the lowest current at the darkest grain. This is attributed to dominant electrical current path through graphene and underlying oxide thickness of which also depends on the type of copper grain. We correlate and discuss the results with view to better understanding of graphene growth and electronic properties on large area copper substrates.
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Ramanova pinzeta pro třídění živých buněk
Pilát, Zdeněk ; Ježek, Jan ; Kaňka, Jan ; Šerý, Mojmír ; Jákl, Petr ; Zemánek, Pavel
Navrhli jsme a otestovali zařízení pro automatizovanou analýzu a třídění živých buněk fotoautotrofních mikroorganismů (řas) a jiných mikroobjektů kombinující laserovou pinzetu a ramanovský mikrospektrometr. Součásti tohoto systému jsou je i speciální mikrofluidní čip a řídicí software zajišťující analýzu obrazu a spekter v reálním čase. Účelem zařízení je nedestruktivní analýza živých buněk a jejich separace za účelem další kultivace. Analytickým nástrojem je zde Ramanova spektroskopie, která dovoluje náhled do chemického složení zkoumaných buněk.
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Ramanovská pinzeta: princip a aplikace
Bernatová, Silvie ; Samek, Ota ; Pilát, Zdeněk ; Ježek, Jan ; Kaňka, Jan ; Šiler, Martin ; Zemánek, Pavel
Ramanovská pinzeta kombinuje optickou pinzetu a ramanovskou mikrospektroskopii. Silové účinky fokusovaného laserového svazku zacíleného na mikrometrové objekty (živé i neživé) umožní prostorové zachycení objektů (tzv. optická pinzeta).Záření nepružně rozptýlené zachyceným objektem (Ramanův rozptyl) nese informaci o molekulárních vazebných vibracích v objektu a napomáhá určit jeho chemické složení s mikrometrovým prostorovým rozlišením (tzv. ramanovská mikrospektroskopie). Jediný laserový svazek nám tak umožní bezkontaktně a sterilně zachytit mikroobjekty v kapalině a současně je diagnostikovat, aniž by byla poškozena jejich struktura nebo fyziologie. Vlnová délka je volena tak, aby nedocházelo k absorpci záření a tím i k destrukci objektu a současně, aby byl Ramanův rozptyl detekovatelný. Pro živé mikroorganismy je vhodné volit delší vlnové délky (700-900 nm). Při takto zvolené vlnové délce, je možné požadovaný objekt sledovat i několik hodin (tzv. časosběrná měření) nebo naopak sledovat velmi rychlé dynamické procesy.
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Growth of diamond thin films: a review
Kromka, Alexander ; Potocký, Štěpán ; Rezek, Bohuslav
Diamond is shown as an extraordinary material which offers promising solution for variety of fundamental studies and industrial uses. Here, growth of synthetic diamond films at low pressures (1 atm) and low temperatures (<1000°C) from carbon consisting gas mixtures is discussed. Variety of chemical vapor deposition techniques are reviewed, their advantages and disadvantages are pointed out too.
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Raman Microspectroscopy of Individual Algal Cells: Sensing Unsaturation of Storage Lipids in vivo
KOTAS, Petr
We have demonstrated the potential of Raman microspectroscopy for the fast and spatially resolved characterization of the composition of selected intracellular regions in individual living cells of three algal species. In particular, we have focused on lipid storage bodies and quantified the degree of unsaturation of algal lipids (iodine value). To verify our results, we developed a method for extraction of storage lipids from highly resistant Trachidiscus minutus cells and determined the fatty acid composition using GC/MS. We have found Raman microspectroscopy to be a fast, versatile, and virtually non-invasive tool for evaluating the potential of different algal species for algal lipid engineering and industry.
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GRAPHENE UNDER UNIAXIAL DEFORMATION: A RAMAN STUDY
Frank, Otakar ; Tsoukleri, G. ; Parthenios, J. ; Papagelis, K. ; Riaz, I. ; Jalil, R. ; Novoselov, K. S. ; Kalbáč, Martin ; Kavan, Ladislav ; Galiotis, C.
The presented work summarizes various aspects of uniaxial deformation in monolayer graphene studied by means of Raman spectroscopy. Graphene flakes were subjected to tension - compression uniaxial loading using the cantilever beam technique. The evolution of the Raman single-resonance (G) and double-resonance (2D) bands was monitored at strain levels < 1%. The position of all peaks redshifts under tension and blueshifts under compression. The G peak splitting into two sub-bands (G(-) and G(+)) which is caused by symmetry lowering, is observed in both strain directions. The sub-bands' intensities are used to calculate the crystal lattice orientation of the measured graphene flakes with respect to the strain axis. The nature and splitting of the 2D band even in the unstrained flakes, when excited by the 785 nm (1.58 eV) laser line, is interpreted as the interplay between two distinct double resonance scattering processes.
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Limitations of spectroscopic methods in the study of earthy pigments
Košařová, V. ; Hradil, David ; Kanický, V.
Nowadays, the spectroscopic methods, above all Infrared Spectroscopy (IR), are the most frequently used analytical methods in the research of cultural heritage, which is mainly caused by easy use and non-invasiveness of these methods and a broad range of their application, which comprises both organic and inorganic substances. Nevertheless, each analytical technique has its detection limits, and the fact that a particular method is suitable for one type of a sample does not automatically mean that it will be appropriate for the identification of another sample. Therefore, the aim of the study is to demonstrate the limitations of both Raman Spectroscopy (RS) and infrared spectroscopy in the study of earthy materials.
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