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Computer simulations of real molecular systems
Hašek, Jindřich
2005 - English
The main source of experimental information about structure of bio-macromolecules is the "Protein Data Bank (PDB)" containing mostly data received by X-ray diffraction. The paper summarizes basic steps necessary for full and unbiased usage of these data in molecular modeling and simulation of molecular dynamics. Hlavním zdrojem experimentální informace o struktuře biologických makromolekul je "Proteinová databanka (PDB)" obsahující převážně data získaná rtg difrakcí. Tento článek shrnuje kroky nezbytné k úplnému a nestrannému využití těchto dat při počítačovém modelování a při simulaci molekulární dynamiky.
Keywords:
computer study; molecular simulation methods
Available at various institutes of the ASCR
Computer simulations of real molecular systems
The main source of experimental information about structure of bio-macromolecules is the "Protein Data Bank (PDB)" containing mostly data received by X-ray diffraction. The paper summarizes basic ...
Phase structure development in flowing polymer blends
Fortelný, Ivan
2005 - English
State of art in description of the phase structure development in flowing polymer blends is discussed. It is shown that the rule satisfactorily predicting a type of the phase structure does not exist. Graphic solution of the equation describing dynamic equilibrium between the droplet breakup and coalescence provides satisfactorily prediction of the dependence of average droplet size on system parameters. Stav popisu vývoje fázové struktury při toku polymerních směsí je diskutován. Je ukázáno, že neexistuje pravidlo pro uspokojivou předpověď typu fázové struktury. Grafické řešení rovnice popisující dynamickou rovnováhu mezi rozpadem a koalescencí kapek poskytuje uspokojivou kvalitativní předpověď závislosti střední velikosti kapky na parametrech systému.
Keywords:
phase structure; polymer blends; rheology
Available at various institutes of the ASCR
Phase structure development in flowing polymer blends
State of art in description of the phase structure development in flowing polymer blends is discussed. It is shown that the rule satisfactorily predicting a type of the phase structure does not exist. ...
Comparing temporally fluctuating SERS signals from samples of porphyrin-bridged silver nanoparticle dimers and small aggregates prepared in the aqueous and in the organic ambient
Vlčková, B.; Moskovits, M.; Sládková, M.; Pavel, I.; Šlouf, Miroslav; Šišková, K.
2005 - English
Formation of 5,10,15,20-tetrakis(4-aminophenyl)porphine -bridged dimers and small aggregates of Ag nanoparticles capped by pentylamine and/or citrate was established by SEM and TEM respectively. From both samples, temporally fluctuating SERS signals were obtained. Tvorba dimerů a malých agregátů stříbrných nanočástic přemostěných 5,10,15,20-tetrakis(4-aminophenyl)porphinem a končených pentylaminem nebo citrátem byla prokázána SEM a TEM. Časové fluktuace SERS signálu byly získány pro oba vzorky.
Keywords:
Ag nanoparticle dimers; small Ag nanoparticle aggregates; SERS signal blinking
Available at various institutes of the ASCR
Comparing temporally fluctuating SERS signals from samples of porphyrin-bridged silver nanoparticle dimers and small aggregates prepared in the aqueous and in the organic ambient
Formation of 5,10,15,20-tetrakis(4-aminophenyl)porphine -bridged dimers and small aggregates of Ag nanoparticles capped by pentylamine and/or citrate was established by SEM and TEM respectively. From ...
Structure and physical behavior of thermotropic polybutadiene-diols with mesogenic groups in the side chains
Jigounov, A.; Ilavský, Michal; Sedláková, Zdeňka
2005 - English
Liquid-crystalline polybutadiene-diols (LCPBD’s) with the comb-like architecture were synthesized by reaction of the LC thiol with the double bonds of the telechelic OH-terminated polybutadiene (PBD). The physical properties were investigated by differential scanning calorimetry and dynamic mechanical spectroscopy. Byly syntetizovány kapalně-krystalické polybutadien-dioly s hřebenovitou strukturou reakcí kapalně-krystalických thiolů s dvojnou vazbou telechelických OH-končených polybutadienů. Byly prostudovány jejich fyzikální vlastnosti použitím dynamické mechanické spektroskopie a kalorimetrie.
Keywords:
liquid-crystalline polybutadiene-diols; differential scanning calorimetry; dynamic mechanical spectroscopy
Available at various institutes of the ASCR
Structure and physical behavior of thermotropic polybutadiene-diols with mesogenic groups in the side chains
Liquid-crystalline polybutadiene-diols (LCPBD’s) with the comb-like architecture were synthesized by reaction of the LC thiol with the double bonds of the telechelic OH-terminated polybutadiene (PBD). ...
Self-assembled structures in block copolymer blends
Holoubek, Jaroslav; Baldrian, Josef; Lal, J.
2005 - English
Phenomena associated with the order-disorder transition, microdomain morphology and phase behaviour of deuterated block copolymer mixture were studied by small-angle X-ray scattering and small-angle neutron scattering. Pomocí metod maloúhlového rozptylu rtg záření a maloúhlového rozptylu neutronů byly studovány jevy ODT, morfologie mikrodomén a fázové chování směsí deuterovaných blokových kopolymerů.
Keywords:
self-assembly; block copolymer blends; order-disorder transition
Available at various institutes of the ASCR
Self-assembled structures in block copolymer blends
Phenomena associated with the order-disorder transition, microdomain morphology and phase behaviour of deuterated block copolymer mixture were studied by small-angle X-ray scattering and small-angle ...
Magnetic IDA-modified poly(glycidyl methacrylate) microspheres for IMAC phosphoprotein purification
Přikryl, P.; Horák, Daniel; Kučerová, Z.
2005 - English
Newly prepared magnetic iminodiacetic acid modified poly(glycidyl methacrylate) microspheres with immobilized FE III+ ions were used for separation of phosphorylated pepsins. Byly připraveny poly(glycidyl-methakrulátoré) mikročástice modifikované iminodioctovou kyselinou a využity k separaci fosforylovaných pepsinů.
Keywords:
proteinases; magnetic iminodiacetic acid; glycidyl methacrylate
Available at various institutes of the ASCR
Magnetic IDA-modified poly(glycidyl methacrylate) microspheres for IMAC phosphoprotein purification
Newly prepared magnetic iminodiacetic acid modified poly(glycidyl methacrylate) microspheres with immobilized FE III+ ions were used for separation of phosphorylated pepsins....
Optical and electrical switching in organic semiconductors
Vala, M.; Weiter, M.; Nešpůrek, Stanislav; Zmeškal, O.
2005 - English
The work deals with tuning of electro-optical properties of polymeric media using reversible light-driven switching of photochromic spiropyran guest molecules. The significant change of dipole moment during the photochromic conversion allows construction of simple switching units. Optical responses of such devices were studied using absorbance and photoluminescence, electrical responses, were detected by impedance measurements. Práce se zabývá elektro-optickými vlastnostmi polymerních nosičů využívajících reversibilní světlem řízené spínání fotochromních aditiv typu spiropyranů. Změna dipólového momentu během fotochrmní konverse umožnila konstrukci jednoduché spínací jednotky. Optické odezvy byly studovány pomocí absorpce a fotoluminiscence, elektrické odezvy byly detekovány impedanční spektroskopií.
Keywords:
switch; poly(p-phenylenevinylene); spiropyrane
Available at various institutes of the ASCR
Optical and electrical switching in organic semiconductors
The work deals with tuning of electro-optical properties of polymeric media using reversible light-driven switching of photochromic spiropyran guest molecules. The significant change of dipole moment ...
Sensoric properties of soluble phthalocyanines
Severová, K.; Weiter, M.; Nešpůrek, Stanislav
2005 - English
Soluble phthalocyanine is suitable material for the preparation of humidity sensors. Thin films can be prepared from solution by casting or spin coating. Optical spectrum shows two main maxima located at 350 nm and 680 nm. Two additional weak bands with maxima located at 610 and 640 nm result from V vibrations and dimer formation, respectively. Rozpustný ftalocyanin je vhodným materiálem pro přípravu sensorů vlhkosti. Tenké filmy mohou být připraveny z roztoků odléváním nebo rotačním nanášením. Optické spektrum ukazuje 2 hlavní maxima nacházející se u 350 nm a 680 nm. Dva další slabé pásy u 610 a 640 nm vyplývají z V vibrací a z vytváření dimerů.
Keywords:
phthalocyanine; humidity sensor; electrical conductivity
Available at various institutes of the ASCR
Sensoric properties of soluble phthalocyanines
Soluble phthalocyanine is suitable material for the preparation of humidity sensors. Thin films can be prepared from solution by casting or spin coating. Optical spectrum shows two main maxima located ...
Effects of .gamma.-irradiation on rheological properties of ultra-high molecular weight polyethylene melts
Mikešová, Jana; Nevoralová, Martina
2005 - English
Ultra-high molecular weight polyethylene is widely used as material in orthopaedic implants. Melt rheology was used to evaluate the result of simultaneous crosslinking and chain scission process in the polymer, .gamma.-irradiated in the solid state. The predominant mechanism in the process was strongly influenced by irradiation dose and dose-rate. An important result was obtained for the polymer irradiated with the sterilization dose 25 kGy and stored in nitrogen when no significant degradation of the polymer was observed. Klinické problémy pacientů způsobené částicemi ultravysokomolekulárního polyethylenu uvolněnými do organismu z kloubních implantátů, vyvolaly zájem o radiační síťování tohoto polymeru. V polymeru po ozáření dochází jak k síťování tak i degradaci. Převahu jednoho z procesů je možné pozorovat meřením reologických vlastností taveniny polymeru. Testovány byly vlivy různých dávek záření a rychhostí ozařování. Důležitým závěrem práce bylo zjištění, že v polymeru ozářeném sterilizační dávkou 25 kGy a uchovávaném v dusíkové atmosféře nebyla pozorována degradace.
Keywords:
rheology; UHMWPE
Available at various institutes of the ASCR
Effects of .gamma.-irradiation on rheological properties of ultra-high molecular weight polyethylene melts
Ultra-high molecular weight polyethylene is widely used as material in orthopaedic implants. Melt rheology was used to evaluate the result of simultaneous crosslinking and chain scission process in ...
Hydrophilic polymer systems in capillary electrophoretic separations
Guryča, Vilém; Novotný, M. V.; Michálek, Jiří; Pacáková, V.
2005 - English
The present work deals with preparations of polymeric stationary phases/coatings for separations of biologically active compounds such as glycoproteins and glycans. Práce pojednává o přípravě polymerních stacionárních fázích/filmech, které slouží pro kapilárně elektroforetické separace biologicky aktivních sloučenin, jako např. glykoproteinů nebo glykanů.
Keywords:
analytical glycobiology; capillary electrochromatography; hydrophilic acrylamide monoliths
Available at various institutes of the ASCR
Hydrophilic polymer systems in capillary electrophoretic separations
The present work deals with preparations of polymeric stationary phases/coatings for separations of biologically active compounds such as glycoproteins and glycans....
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