Future instrumental equipment

Item 1 – Transmission electron microscope CryoHRTEM

The high resolution transmission electron microscopes are giving the unique opportunities in wide range of applications from research and development to manufacturing; including biology, basic materials research and development, failure analysis, and quality control. HRTEMs are of paramount importance to obtain high magnification and high resolution 2D and 3D information of the smallest particles. It allows going down to the atomic level in all kind of investigations. Moreover, the CRYO extension allows acquiring high-resolution direct images of complex liquids, cells and biostructures in their original state.

TEM will used for study of nanostructured systems and materials (morphology, size, element composition), including nanoparticles and nanoclusters.

Item 2 – Computation cluster (i.e., supercomputer)

A high-power computation system, working as GRID-node connected to the CERN system within the CERN-ATLAS project, consisting of an unit with a parallelization above standard and low operation costs (energy consumption of 40 W in maximum per a processor and low level of investment for further maintenance of the unit, etc.), a unit for memory-consuming tasks with a high data flow architecture with regard to the memory and front-end of the system for communication and data saving including software equipment. The unit consists of 4096 cores with 2GB of RAM per a chip and 1024 cores with 16 GB of RAM per a chip and has 25 TB of disc space.

The required highly powerful computing device will serve for an analysis of structure and properties of complex and supramolecular entities of synthetic and biological origin with the aim to design and prepare highly functional compounds suitable for applications in material and medical chemistry. In particular cases, this device will be used for simulation of behaviour of carbon nanostructures in the complexes with various organic ligands, fragments of biomolecules and/or biomolecules themselves, study of the structure and thermodynamic properties of coordination compounds of transition metals in the solutions and their interaction with proteins and/or nucleic acids. The required device will also play an eminent role in the research of chemical reactivity, especially in the study of catalytic processes, their optimization and design of new catalyzers. In addition, with the help of this device, we plan to develop (nano)molecular machines, which, in the basic research phase, means to design the structure of their possible components, again built on the basis of combination of carbon nanostructures and functional units of biomolecular machines, thus exploiting the biomimetic approach. Furthermore, this computing device will serve as a small GRID computing centre in Moravia with a connection to this world computation network for utilization of clients coming from various research and application areas. In the case of the “Regional Centre of Advanced Technologies and Materials”, the device is intended for a partial exploitation in the model computations, for enabling the connection to CERN in the course of solution of the CERN-ATLAS project at a LHC accelerator (Palacky University in Olomouc became a member of international CERN-ATLAS collaboration in 2008) and for solution of prestigious international project of “The Pierre Auger Observatory” (Palacky University in Olomouc became a member of international collaboration also in 2008) and for other activities of the “Regional Centre of Advanced Technologies and Materials”.

All the above-mentioned application assume the usage of the most modern tools of theoretical chemistry, which are, in principle, extremely demanding with regard to hardware parameters of the computer technology including number and working frequency of the processors and volume of computing and disc memory. The proposal of the device also stems from our long-lasting experience (approximately 10 years) in the field of computing chemistry and molecular simulations.

Item 3 – Electron microprobe with autoemission jet

Electron microprobe is a device for point chemical analysis and documentation of a texture and variability of chemical composition on the area of plane samples of solid inorganic and organic materials. For this electron microprobe, the source of electrons is several times stronger compared to that used in classical electron microprobes with thermionic source (cathode from tungsten fiber or crystal of lanthanum hexaboride). A significantly higher current density of electron beam coming from autoemission nozzle (“filed emission gun, Shottky cathode”) enables to analyze substances with relatively high mean atomic number at a lower accelerating voltage (? 10 kV), which significantly reduces the excitation volume, i.e. the depth from which the analytic signal (X-rays) originates. This improves the analytical resolution capabilities of this device – from 2 micrometer reachable by common electron microprobes to tenths of micrometer reachable by a microprobe with autoemmision nozzle. Simultaneously, due to more intense source of electrons, a higher signal-to-noise ratio is achieved, which positively reflected in lower limits of detections. In addition, a significantly better image resolution by secondary and backscattered electrons is achieved, which enables to obtain high quality images of analyzed objects without a need to use specialized electron microscopes for their analysis.

Electron microprobe will serve for detailed microchemical analysis of materials or surfaces investigated and prepared within the scope of the Centre, for development and optimization of new analytical approaches for purposes of surface analysis of assorted types of samples. It will provide basis for evaluation of relations between properties of materials and procedure of their preparation. It will become one of the techniques which enables to perform a very detailed characterization of surfaces, for example surfaces developed for analytical applications and modified for goal-directed interaction with a matter (sorption, electrochemical transformation, etc.). It will provide complementary information with respect to other techniques of surface analysis.

Item 4 – 600 MHz NMR spectrometer with measuring probes for liquid and solid state

A high-frequency NMR spectrometer is essential for acquiring the information on three-dimensional structure of molecules (including macromolecules and biomolecules) in a liquid and solid state. It is an important tool for characterization of new organic compounds – ligands and their complex compounds. For example, it enables to find out the type of coordination and to compare the composition of internal coordination sphere of complexes in a dilution and solid state. These results are necessary to be known when their potential biological activity is discussed. High external fields then enable to perform a complex structurally-magnetic characterization of nanocrystalline carriers.

Item 5 – High resolution mass spectrometer

Tandem mass spectrometer is equipped with ionization techniques (electro-spray and atmospheric pressure chemical ionization) suitable for analysis of ion, polar and middle and lowly polar substances, thus covering the region of analyses problematic for systems with gas chromatography. It offers a high resolution ability (over ten thousands) and small error of mass measurement (below 3 ppm), which thus enables to distinguish ions with the same nominal mass (their mass differs in decimal places) and to increase the selectivity of the measurement. In addition, it allows determining the overall formula, which contributes to the identification of the substances. For purposes of identification, this device enables to measure the fragmentation spectra for isolation of the monitored ion and its activation in the collision cell. The formation of the fragment characteristic for a given substance can be used for enhancement of the selectivity of determination of this substance. In this device, ion-molecule reactions, suitable for analytical purposes, can be realized (and can be studied with this device). In addition, this device provides a possibility to separate ions on the basis of ion mobility in the gaseous phase, according to the difference in shape and size of an ion, which brings further feature for identification and determination of the investigated substances. A combination of ion mobility with tandem mass spectrometer with a high resolution represents a device providing information with significantly high predicative value on the investigated system and enables, with a high probability, to eliminate the disturbing components of the sample so that they cannot significantly affect the measurement itself.

Item 6 – Physical property measuring system

PPMS-14 – Physical property measurement system with a 14 T magnet. The device measures in the temperature range from 1.9 to 400 K and under magnetic field of up to 14 T and is indented for measurement of physical properties of the materials such as heat capacity, magnetization, ac susceptibility, torque moment of magnetization, electro-transport properties (electric resistance, Hall effect, volt-ampere characteristics, critical current), heat conductance. The device is also equipped with a liquefier of He, which significantly reduces the operational costs. The samples can be rotated by rotors to place them to arbitrary positions with respect to the direction of magnetic and electric field, which is suitable for a study of magnetic anisotropy of the materials. For study at temperatures below 0.4 K, the system is equipped with He-3 cooling device, which enables to measure heat capacity and electro-transport properties at milliKelvin temperatures. All mentioned measurable quantitative characteristics will serve for a description of newly prepared substances with regard to their potential usage in practice and these characteristics will be found to be very important when searching for relations between their structures and studied properties. A high measuring accuracy, practically automated operation and very sophisticated software make this device be a powerful tool for study of materials in the solid state.

Item 7 – Development centre for optical processing of surfaces by grinding

The developing centre for processing of optical surfaces by cutting is intended for development of new applications of optical surfaces for detectors of weak signals. The device provides the preparation of surfaces of complex areas before final operation focused on achieving the surface roughness below 10 nm. The conception of the device allows working with materials for ultralight applications and changing the radius and diameter of the surface where necessary. The substantial contribution of this device lies in the shape variability of the processed surface; the centre allows the development of systems of detectors with aspherical surfaces. The centre works on a principle of ablation of substrate material by means of bound diamond in the cooling medium and at variable parameters of the tool. The kinematics of the movements is controlled via the computer; the optimization of the process is enabled by means of corrections based on the feedback control. The device is a compact unit complemented with the stand with controlling unit and cooling of circuit of technological liquids.

Item 8 – Optical development centre for nanosurface treatments (including attachments and measurement)

The developing centre for nanosurface treatments with surface roughness of order of units of nanometers represents a qualitative step in an achievable quality of optical surfaces for detectors of weak optical signals. The usage of the tool with variable geometry opens an area for a development of an application of optical systems utilizing the optical surfaces, nowadays unachievable for large area detectors due to the shape and the quality of the optical surface. The required device is of CNC type with a unit for preparation of circulating abrasive working liquid. The feedback control is maintained by means of contact mechanical and/or noncontact optical measuring system.

Item 9 – Vacuum steaming equipment

The device is intended for a development of thin-film optical structures for optical elements intended for detectors of weak optical signals. The preparation of optical films is based on a principle of thermal deposition under high vacuum. High-power pumping equipment represents a guarantee of quality vacuum achievable in the short time, which enables high efficiency of the experimental work. A high volume of the recipient is intended for a work with spacious segments of surfaces of optical detectors. The device will be equipped with appropriate measurement of parameters of deposited films which allows a precise control of the process aimed at achieving the optimal properties of the systems with thin films. In addition, the device enables a work under precisely regulated inner environment with defined concentration of pure gases.

Item 10 – Interferometric measuring system with attachments

The device serves for an evaluation of the shape of optical surfaces produced at the optical centre for nanosurface treatments. The actual obtained parameters then enable the performance of corrections of shape defects and quality of the optical surface.

The device will provide the evaluation of parameters of surfaces for detectors of optical signals during the duration of the project.

Item 11 – Mass spectrometer with ionization with induction-coupled plasma and laser ablation (LA-ICP-MS)

Analytical set consisting of mass spectrometer with ionization by induction-coupled plasma and laser ablation microscope represents a device which enables simultaneous analysis of all detectable isotopes in the range of X0% – 0.0X ppm both in solid matrices and in liquid samples. The mass spectrometer based on the principle of drift analyzer allows to perform fast simultaneous record of complete mass spectra (30 000 spectra per 1 s) and, in combination with laser ablation, to produce three-dimensional spectra mapping the investigated sample. The accuracy of determination of isotopic ratio approaches to that of expensive (more than 30 millions of Czech crowns) multi-collector mass spectrometers and is independent on the measured intensity in the range of six orders of concentrations. By this device, fully multi-element information without any reduction of detection limits is acquired. Contrary to mass spectrometers of quadrupole and multi-collector type, it is not necessary to state which elements will be analyzed in advance. Compared to quadrupole analyzers, it offers higher resolution and enables to analyze trace concentration of an isotope even in the presence of very high concentration of neighboring isotope. Laser ablation, which is a method of direct loading of solid samples to induction-coupled plasma, enables sampling of thin layers (including thin-layered films and microscopic inclusions) and depth profiling. The depth resolution varies between 0.5 to 1 µm; the diameter of the crater is selectable in the range of 4 – 110 µm, which makes possible to analyze very small defects of materials. The spectrometer is equipped with a device for importing the liquid samples, thus being possible to treat samples produced by a decomposition of bigger representative quantities of solid samples.

Item 12 – Pulse laser system for mJ energies in fs impulses

A pulse femtosecond laser system pro mJ energies in individual impulses represents an ideal light source for pumping of nonlinear optical processes and for laser-excited emission spectroscopy in the high time resolution. It allows monitoring the nonlinear optical processes in the bulk, layered and 3D nanostructural materials. With assumed utilization of the laser with Ti:sapphire active environment, this device cover the spectral region of 740-850 nm (370-425 nm in the second harmonics). The energy of the pulse is typically of several mJ, the duration of the impulse is of 100-200 fs and the repeating frequency is typically of 1 kHz.

Item 13 – Capillary electrophoresis with tandem mass spectrometer

Capillary electrophoresis with tandem mass spectrometer (CE-MS/MS) is intended for separation and study of interactions of nanoparticles with substances of wide spectrum of properties (e.g. interaction with non-polar substances, ions, proteins, usage of liposomes, micelles of tensides, analysis of physiologically active substances, pharmac etc.). CE-MS/MS works on a principle of separation of charged ions, or eventually adducts in a liquid medium with the use of direct electric field and subsequent detection of separated analytes by means of MS/MS. MS/MS provides a reliable identification of separated molecules according the ratio of m/z and then on the basis on subsequent fragmentation of studied analytes occurring in a very low concentrations (of order of ng/ml). The configuration of this device enables to perform analysis separately by means of capillary electrophoresis and separately on tandem mass spectrometer. The controlling software is common for capillary electrophoresis and tandem mass spectrometry and allows automated optimization of parameters for mass analysis. The measuring system is equipped with an autosampler, thus enabling the continuous operation.