Wednesday, 16 October 2019

Student presentations

Program of the seminar

  • Roman Staňo (2. Mgr).
    Computer modelling of interpolyelectrolyte complexes.

  • Lukáš Fojtík (2. Mgr).
    The use of protein radical footprinting by Togni reagents in structural biology.

  • Tadeáš Kalvoda (2. Mgr).
    Exploration of conformational space of short peptide chains by quantum mechanics methods.

  • Jana Hrnčířová (2. Mgr).
    Optimization of Ag nanoparticle assemblies for detection of bilirubin and for monitoring of its photooxidation by SERS.

  • Eva Hlavatovičová (2. Mgr).
    Stimuli-responsive nanoparticles with boronic ester linkages as a potential carrier for drug delivery.

  • Stefan Dukic (2. PhD).
    Human Purine Nucleoside Phosphorylase- from preparation to crystal structure.

 

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Tuesday, 22 October 2019

CZ-UK Workshop on Nanomaterials

Czech-British workshop focusing on research, development and application possibilities of nanomaterials will take place in Karolinum, Prague on 22 and 23 October 2019

The workshop will feature top experts from the UK and the Czech Republic:

  • Phoebe Allan (University of Birmingham)
  • Pavel Jelinek (Institute of Physics of the CAS)
  • Paul Attfield (University of Edin... more

Wednesday, 23 October 2019

Student presentations

Program of the seminar

  • Alžběta Runová (2. Mgr).
    A novel way to detection of individual miRNA molecules in living cells

  • Jaroslav Vacek (2. Mgr)

  • Tereza Nepokojová (2. Mgr)
    Characterization of bivalent binders     

  • Jakub Svoboda (2. Mgr)
    Study of structural features of single stranded DNA by biophysical techniques and crystallography                   

  • Martina Mikulů (2. Mgr)
    Biophysical characterization of interaction between the calcium/calmodulin-dependent protein kinase kinase 1 and the 14-3-3gamma protein     

  • Klára Kohoutová (2. Mgr)
    Structure and interactions of FOXO forkhead transcription factors

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Friday, 25 October 2019

Friday, 8 November 2019

Zeolite Crystal Engineering: A Multiscale Approach

After setting the scene of the current energy and materials transition, I will highlight the challenges facing zeolites in the future. The LCS strategy to meet these challenges, Zeolite Crystal Engineering, will then be outlined.

This strategy basically takes place at three different scales:

  1. Sub-nm and nm level: this is the domain of active sites & point defects (nature, location, confinement...) and microporosity
  2. μm level: this is the domain of the size, shape and morphology of particles, the meso- & macro-porosity...
  3. mm level: this is the domain of shaped bodies as zeolites are never used in commercial processes as unprocessed powders

These 3 scales will be illustrated by case studies on:

  1. preparation of defect-free zeolites and introduction of transition metal ions in their framework
  2. the mosaic structure of zeolites and the opening of inaccessible zeolite cages
  3. the chemical reac... more

Tuesday, 7 February 2017

CUCAM Carolinum opening ceremony

On February 7, 2017 was held at Carolinum opening ceremony of the presentation of the newly established Centre of Excellence at Charles University in the field of material science.

Opening ceremony attended for instance the Rector of Charles University prof. Tomáš Zima, HM Ambassador to the Czech Republic Jan Thompson, Deputy Vice Prime Minister for science, research and innovation Ing. Lucie Orgonikova and deputy director for management section of the operational programs of the Ministry of Education, Youth and Sports Dr. Mgr. Vaclav Velčovský, Ph.D.

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Wednesday, 3 October 2018

Seminar: Mechanosensitive fluorescent polymer

Mechanochemistry is dealing with the application of mechanical force on the molecule, which increases energy of the system, and complements the other typical methods of activation, ie. heating, irradiation or application of electric current. The main aim of our work is to design mechoanochemical indicators, which instantly and reversibly change their spectral properties as a function of external force. Experimentally, the force is obtained by covalently binding the indicator into the polymer and applying ultrasound to the solution. The polymer chain is stretched and transduces the force towards the indicator. Currently, the PEG is used due to its avaliablility and solubility. Nevertheless, the choice of polymer is almost arbitrary and could open a path to mechanosensitive materials. The first synthetically obtained molecule in the series is fluorescent tetraphenylethylene, decorated via click reaction by two 10 kDa PEG chains. Change in emission spectra was seen upon sonication o... more

Wednesday, 31 October 2018

Charge control in polymeric materials --- from reversible adsorption to catalytically active block copolymer membranes

Well-defined copolymers and block copolymers featuring charge-tunable groups in the side chain are ideal materials for the design and modification of interfaces in various settings [1] or for controlling and directing self-assembly processes [2]. We herein report on the synthesis of polyelectrolytes, polyampholytes, and polyzwitterions as well as the corresponding block copolymers using free radical and controlled radical polymerization techniques. One key building block in our setting is polydehydroalanine (PDha),[3,4] a polyzwitterion with high charge density and, depending on the pH, tunable net charge (Figure 1). Apart from interesting solution characteristics [5], we have used PDha and partially protected derivatives as coating materials for iron oxide nanoparticles or within polyelectrolyte multilayers and could show that this allows reversible adsorption / desorption experiments using various o... more

Wednesday, 14 November 2018

Theoretical rovibronic energies of pathological molecules: Extreme floppiness and Born-Oppenheimer breakdown

Per Jensen, Prof. Ph.D.

Physical and Theoretical Chemistry, University of Wuppertal, Germany

This talk will discuss two cases of molecules for which the conventional, perturbed harmonic-oscillator/rigid- rotor description of the rotation and vibration breaks down severely.

The first case of that of extremely flexible (or extremely floppy) molecules [1-3], of which protonated methane CH5 is the prototypical example. CH5 lacks a well-defined equilibrium structure. Adding a proton to methane changes completely the vibrational energetics, especially some of the bending motions become extremely "soft" - that is, almost free. This cannot be described by conventional molecular theory and in recent years there has been much discussion as to how to understand experimental rotation-vibration spectra of CH5 [4]. We have proposed an algebraic-method description [1-3], considering the rotation in space together with two extremely soft internal-rotation vibrational modes as a free rotation in five-dimensional space with the appropriate symmetry group SU(5... more

Wednesday, 21 November 2018

Modern Cryogenic-Temperature Electron Microscopy in the Nanostructural Study of Soft Matter

Cryogenic-temperature transmission electron microscopy (cryo-TEM) is now accepted as an almost standard tool in the study of complex liquids, i.e., liquid systems with aggregates or building blocks on the nanometric scale. Methodologies have been developed to capture the nanostructure of liquid systems, while preserving their original state at a given concentration and temperature. Cryo-TEM is now widely used to study synthetic, biological, and medical soft matter. Originally developed for aqueous systems, it has been also applied successfully in the study of non-aqueous systems. Recent developments in TEM include highly-sensitive cameras that allow imaging with very few electrons, thus reducing electron-beam radiation-damage, a main limitation in electron microscopy of soft matter. Recent introduction of the analog to light microscopy “phase-plate”, enhances image-contrast in low-contrast specimens, another major limitation in microscopy of soft matter.

However, cryo-TEM... more

Wednesday, 9 January 2019

Wednesday, 20 February 2019

AFM in SEM, new approach in microscopy and story of Czech young Spin-off.

Czech Republic is well known for the development of scientific instrument especially in Electron microscopy field. NenoVision is young Czech spin-off who brought to the market innovation AFM add on for SEM microscopes. In the talk, we will explain the advantages of the AFM/SEM integrations on several application examples. A unique technique for correlative imaging CPEM will be presented and described. Part of the talk will also devote the spin-off formation and technology company founded with all issues, challenges and expectations. Everybody is welcome to discuss how to transfer technology from the University to Business environment.

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Wednesday, 13 March 2019

Modelling Ionic liquids. From bulk behavior to supercapacitor applications.

Prof. Christian Holm

Institute for computatonal physics (ICP), Stuttgart, Germany

In the first part of the talk we present an ab initio parametrization scheme for explicitly dipole-polarizable force fields for the simulation of an ionic liquid. The scheme allows for, in principle, arbitrarily coarse-grained representations. All parameters in the force field are derived from first-principles, based on simple physical arguments. Only one fit parameter enters the parametrization, a global scaling factor for the size of the particles, which is adjusted to reproduce the experimental mass density. As important examples and for the first time, polarizable coarse-grained force fields are derived for 1-alkyl-3- methylimidazolium cations with varying alkyl-chain lengths (alkyl = ethyl, butyl, hexyl) and hexafluorophosphate and tetrafluoroborate anions. Our findings are in good agreement with experimental results and results of further atomistic simulations. Hence, the force fields can be faithfully used where polarizability is expected to play a significant role, such a... more

Wednesday, 20 March 2019

Magneto-elastic coupling in computer simulations: from magnetic microgles to elastomers

Her current research interests lie in the field of complex dipolar systems and can be divided into 3 main groups:

  • magnetic soft matter (magnetic fluids, magnetic gels, capped magnetic colloids, anisotropic magnetic particles, Janus particles),
  • charged soft matter (ionic liquids, polyelectrolytes) and
  • DNA duplexes self-­‐assembly.

She used different statistical physics methods and computer simulations and developed various new approaches to describe the aforementioned systems in detail and to assist experimentalists in constructing possible new smart materials.

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Tuesday, 23 April 2019

Molecular Characterization of Polymers

Taihyun Chang

Division of Advanced Materials Science & Department of Chemistry Pohang University of Science and Technology (POSTECH), Pohang, 37673, Korea

The course by Professor Taihyun Chang will be held on Tuesday 23 April (9:50– 11:30) and on Mondays from 29 April to 13 May (14:00–16:30), 2019, in lecture hall CH4, Hlavova 8, Praha. All students are cordially welcome.

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Molecular Characterization of Polymers

Taihyun Chang

Division of Advanced Materials Science & Department of Chemistry Pohang University of Science and Technology (POSTECH), Pohang, 37673, Korea

The course by Professor Taihyun Chang will be held on Tuesday 23 April (9:50– 11:30) and on Mondays from 29 April to 13 May (14:00–16:30), 2019, in lecture hall CH4, Hlavova 8, Praha. All students are cordially welcome.

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Monday, 29 April 2019

Molecular Characterization of Polymers

Taihyun Chang

Division of Advanced Materials Science & Department of Chemistry Pohang University of Science and Technology (POSTECH), Pohang, 37673, Korea

The course by Professor Taihyun Chang will be held on Tuesday 23 April (9:50– 11:30) and on Mondays from 29 April to 13 May (14:00–16:30), 2019, in lecture hall CH4, Hlavova 8, Praha. All students are cordially welcome.

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Monday, 6 May 2019

Molecular Characterization of Polymers

Taihyun Chang

Division of Advanced Materials Science & Department of Chemistry Pohang University of Science and Technology (POSTECH), Pohang, 37673, Korea

The course by Professor Taihyun Chang will be held on Tuesday 23 April (9:50– 11:30) and on Mondays from 29 April to 13 May (14:00–16:30), 2019, in lecture hall CH4, Hlavova 8, Praha. All students are cordially welcome.

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