Photophysical properties of methyl triazone included in MCM-41

Methyl triazone (4,4',4'-[1,3,5-triazine-2,4,6-triyltriimino]tris-trimethyl benzoate) has been included in mesoporous MCM-41 (Mobil's composition of matter-41) silica, and its fluorescence emission has been compared in solution and in the solid state. Although inclusion does not affect significantly the absorption properties, a fluorescence emission shift and a behavior similar to the solid state has been observed by increasing the loading. It is believed that this observation reflects molecular aggregation inside the MCM-41 channels. The potential of formulations of this type for sunscreen applications is discussed.     

Improved excitation schemes for multiple-quantum magic-angle spinning for quadrupolar nuclei designed using optimal control theory

We have investigated the use of optimal control theory for the design of improved multiple-quantum excitation schemes for the popular multiple-quantum magic-angle spinning NMR experiment for quadrupolar nuclei with half-integer quadrupolar spin. The advantage of the new low-power experiments, termed OCFASTER, is demonstrated by sensitivity improvements approaching 50% for 87Rb in RbClO4 and RbNO3 as compared to FASTER and standard strong-pulse excitation schemes.     

An algorithm for determination of the copolymer molecular weight distribution by Markov chain simulation

A simple and general algorithm, convenient for computer implementation, for calculation of the copolymer molecular weight distribution (MWD), its moments, copolymer composition, etc. from standard data has been developed describing copolymerization as a Markovian process. The algorithm is applicable for simulations of multimonomer copolymerization with monomolecular, bimolecular and mixed termination. It can be used for calculating the MWD of copolymers prepared under non-stationary conditions. Explicit formulae have been derived for the above parameters. They are exact even for low-molecular-weight oligomers. The calculation procedure involves nothing but plain matrix operations as matrix multiplication and inversion. For high-molecular-weight copolymers, even simpler dependencies that resemble those used for homopolymers can be used. A very simple numerical test has been proposed for checking their correctness.     

Conformational Dynamics Underlies Different Functions of Human KDM7 Histone Demethylases

The human KDM7 subfamily histone H3 Nϵ-methyl lysine demethylases PHF8 (KDM7B) and KIAA1718 (KDM7A) have different substrate selectivities and are linked to genetic diseases and cancer. We describe experimentally based computational studies revealing that flexibility of the region linking the PHD finger and JmjC domains in PHF8 and KIAA1718 regulates interdomain interactions, the nature of correlated motions, and ultimately H3 binding and demethylation site selectivity. F279S an X-linked mental retardation mutation in PHF8 is involved in correlated motions with the iron ligands and second sphere residues. The calculations reveal key roles of a flexible protein environment in productive formation of enzyme-substrate complexes and suggest targeting the flexible KDM7 linker region is of interest from a medicinal chemistry perspective.     

Reinstallation of the COMPASS-D tokamak in IPP ASCR

The COMPASS-D tokamak, originally operated by UKAEA at Culham, UK, will be reinstalled at the Institute of Plasma Physics (IPP) AS CR. The COMPASS device was designed as a flexible tokamak in the 1980s mainly to explore the MHD physics. Its operation (with D-shaped vessel) began at the Culham Laboratory of the Association EURATOM/ UKAEA in 1992.The COMPASS-D tokamak will have the following unique features after putting in operation on IPP Prague. It will be the smallest tokamak with a clear H-mode and ITER-relevant geometry. ITER-relevant plasma conditions will be achieved by installation of two neutral beam injection systems (2 × 300 kW), enabling co-and counter-injections. Redeployment of the existing LH system (400 kW) is also envisaged. A comprehensive set of diagnostics focused mainly on the edge plasma will be installed.The scientific programme proposed for the COMPASS-D tokamak installed in IPP Prague will benefit from these unique features of COMPASS-D and consist of two main scientific projects, both highly relevant to ITER-Edge plasma physics (H-mode studies) and Wave-plasma interaction studies.The COMPASS-D tokamak will offer an important research potential as a small, flexible and low-cost facility with ITER-relevant geometry.