Wednesday, 19 February 2020

Next seminar will be scheduled on 19.2.2020

There are no seminars scheduled in the semester break. 13.1.2020 - 14.2.2020. Next seminar will be scheduled on 19.2.2020 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 ... more

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 ... more

Thursday, 25 October 2018

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 ... more

Wednesday, 14 November 2018

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

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 ... 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 ... more

Wednesday, 9 January 2019

Opening of Electron Microscopy Laboratory

Newly established Electron Microscopy Laboratory is now part of our Faculty. Laboratory is equipped with new JEOL JEM-NEOARM 200F transmission electron microscope.

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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.

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 = ... 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

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

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

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

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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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.

  • ... more

Tuesday, 22 October 2019

CZ-UK Workshop on Nanomaterials

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

The British Embassy in Prague and the Department of Physical and Macromolecular Chemistry of the Faculty of Science at the Charles University organised a CZ-UK workshop on nanomaterials, which was held in Karolinum on October 22-23, 2019. Her Majesty’s Ambassador to the Czech Republic, Mr. Nick Archer MVO, opened the workshop. From both countries, six excellent speakers were invited including e.g. A. Goodwin – Oxford, J.P. Attfield – Edinburgh, R. Catlow – Cardiff, P. Nachtigall - UK Praha, ... 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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Wednesday, 30 October 2019

Nano-ions in solution: new worlds between small ions and nanosized building blocks

by doc. RNDr., Ph.D., Pavel Matějíček

Recent literature on the solution behavior of ions of nanometer size and of irregular structure will be reviewed. Small inorganic ions are usually depicted as balls differing in size, charge density and thickness of the solvation shell. In contrast, even simple ions exhibit complex solution behavior as manifested by Hofmeister series. If the structure of ions is slightly more complicated such as in the case of SCN- and guanidinium+, the ions undergo like-charge pairing and are surface active. The ions, size of which is in the nanometer scale like anionic boron cluster compounds (ABCCs) and polyoxometalates (POMs), behave ... more

Wednesday, 6 November 2019

Biomolecular NMR - an essential tool for drug discovery

by Ph.D., Ing, Václav Veverka

Several key stages in the knowledge-based drug discovery process require detailed information about targeted systems at the molecular level. This includes validation of selected proteins or protein-protein interactions and assessment of their druggability, identification of suitable small molecules with the desired inhibitory activity and detailed structural characterization of the sites of intervention. NMR spectroscopy was for a long time overshadowed by X-ray crystallography in drug discovery but with a recent shift in target selection towards more challenging protein-protein interactions it bounced back on stage. The particular strengths of the technique will be introduced from the biologists’ perspective and the benefits ... more

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 ... more

Wednesday, 20 November 2019

Magnetic properties of MOFs, Zeolites and MXenes

Federico Brivio graduate in Material Science at the Universita’ di Milano Bicocca. After a brief experience as a teacher, he completed his PhD at the University of Bath (UK) with prof. Aron Walsh. Hi spent one year at
the University of Cambridge before joining the research group of Prof. Petr Nachtigall in Charles University.

His research revolves around different applications of the Density Functional Theory and, more in general, computational methods to calculate materials properties ab-initio. He worked on both molecular and crystalline systems, joining his expertises in the approach of complex systems such as hybrid perovskites and zeolites.

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Wednesday, 27 November 2019

PhD student presentations

1st year internal PhD students will present their research activity

  1. Karolína Honzejková. Structural characterization of protein complexes involved in apoptosis.
  2. Zuzana Kadlecová. Study of retention and separation mechanism in mixed-mode chromatography; application for protein digestion products separation.
  3. Sarra Abdi. ADORable zeolites: addressing structure-activity relationships for porous heterogeneous acid catalysts.
  4. Ang Li. Rational synthesis of zeolitic materials and advanced microscopy characterization.
  5. Ondřej Veselý. Synthesis of novel zeolite materials using the ADOR method.
  6. David Šorm. Hyper-Cross-Linked Organometallic Porous Polymers.
more