(E)-2-Benzylidenebenzocyclanones: Part VII. Investigation of the conjugation reaction of two cytotoxic cyclic chalcone analogues with glutathione: an HPLC–MS study

Abstract  

The non-enzyme-catalyzed reaction of reduced glutathione (GSH) with two tumor cell cytotoxic cyclic chalcone analogues was investigated by reversed-phase high-performance liquid chromatography (RP-HPLC). HPLC analysis of the reaction mixtures indicated the formation of two diastereomeric chalcone–GSH adducts in each case, whose structural assignments were supported by MALDI-TOF-MS and HPLC–MS with electrospray ionization (ESI) measurements. Such reactivity accounts for the previously observed effect of the two cyclic chalcone analogues on the in vivo cellular thiol level of Jurkat T cells.     

Selfadjoint extensions of a singular differential operator

In this work, firstly in the Hilbert space of vector-functions all selfadjoint extensions of the minimal operator generated by linear singular symmetric differential expression with a selfadjoint operator coefficient A in any Hilbert space H, are described in terms of boundary values. Later structure of the spectrum of these extensions is investigated.     

A ruthenium(II) hydride carbonyl complex with 4-phenylpyrimidine as co-ligand

The reaction of [RuHCl(CO)(PPh₃)₃] with 4-phenylpyrimidine gave a new ruthenium(II) complex, namely [RuHCl(CO)(PPh₃)₂(pyrim-4-Ph)]. The complex has been studied by IR and UV?Cvis spectroscopy and by X-ray crystallography. The molecular orbitals of the complex have been calculated by density functional theory. The spin-allowed singlet?Csinglet electronic transitions of the complex have been calculated by time-dependent DFT, and the UV?Cvis spectrum of the compound has been discussed on this basis. The emission properties of the complex were also studied.     

Fracturing of Clay During Drying: Modelling and Numerical Simulation

Non-uniform distribution of moisture contents inside of the porous materials during drying results in compressional stresses inside of the material and tensional ones close to the surface. The tensional stresses together with brittleness of dry material are the reasons of fracturing of the material. The proposed model consists of two parts. The mass transfer is described by simple diffusion equation. The mechanical behaviour of the material is modelled with the network model in which the material is modelled as the set of small particles interconnected elastically via springs. The spring constants and strengths depend on Young modulus and the material tensional strength. The dependences of these material parameters on the moisture content are determined. Then two 2D initial-boundary problems are solved. The results show possible way of cracks initiation and generation by drying.     

Mathematical Modeling of Tidal Effects in Groundwater

This paper presents a special use of the linear poroelasticity theory to describe tidally induced groundwater oscillations. Two models of oscillation inducing mechanism make use of this theory to predict groundwater level fluctuations. The numerical solutions of both models are presented and compared with well water level measurement obtained in Police Basin, north-east Bohemia.     

Horizontal bridges in polar dielectric liquids

When a high-voltage direct-current is applied to two beakers filled with polar liquid dielectrica like water or methanol, a horizontal bridge forms between the two beakers. By repeating a version of Pellat’s experiment, it is shown that a horizontal bridge is stable by the action of electrohydrodynamic pressure. Thus, the static and dynamic properties of the phenomenon called a ‘floating water bridge’ can be explained by the gradient of Maxwell pressure, replenishing the liquid within the bridge against any drainage mechanism. It is also shown that a number of liquids can form stable and long horizontal bridges. The stability of such a connection, and the asymmetry in mass flow through such bridges caused by the formation of ion clouds in the vicinity of the electrodes, is also discussed by two further experiments.     

Dynamical behaviour of multi-particle large-scale systems

Collective behaviours can be observed in both natural and man-made systems composed of a large number of elemental subsystems. Typically, each elemental subsystem has its own dynamics but, whenever interaction between individuals occurs, the individual behaviours tend to be relaxed, and collective behaviours emerge. In this paper, the collective behaviour of a large-scale system composed of several coupled elemental particles is analysed. The dynamics of the particles are governed by the same type of equations but having different parameter values and initial conditions. Coupling between particles is based on statistical feedback, which means that each particle is affected by the average behaviour of its neighbours. It is shown that the global system may unveil several types of collective behaviours, corresponding to partial synchronisation, characterised by the existence of several clusters of synchronised subsystems, and global synchronisation between particles, where all the elemental particles synchronise completely.     

Smart dampers control in a Remoissenet–Peyrard substrate potential

A model of spring-block on a moving plate with a nonlinear periodic substrate potential whose shape can be varied continuously as a function of a shape parameter is investigated. The dynamical study of the system for different values of the shape parameter involves the analysis of phase space, the construction of bifurcation diagrams, and the computation of the largest Lyapunov exponent. A smart damper associated with drag coefficient is proposed to reduce stick-slip and chaotic motions. The domain of validity of the control method is derived.     

Uncertainty quantification in a chemical system using error estimate-based mesh adaption

This paper describes a rigorous a posteriori error analysis for the stochastic solution of non-linear uncertain chemical models. The dual-based a posteriori stochastic error analysis extends the methodology developed in the deterministic finite elements context to stochastic discretization frameworks. It requires the resolution of two additional (dual) problems to yield the local error estimate. The stochastic error estimate can then be used to adapt the stochastic discretization. Different anisotropic refinement strategies are proposed, leading to a cost-efficient tool suitable for multi-dimensional problems of moderate stochastic dimension. The adaptive strategies allow both for refinement and coarsening of the stochastic discretization, as needed to satisfy a prescribed error tolerance. The adaptive strategies were successfully tested on a model for the hydrogen oxidation in supercritical conditions having 8 random parameters. The proposed methodologies are however general enough to be also applicable for a wide class of models such as uncertain fluid flows.     

Minimal loading conditions for higher-order numerical homogenisation schemes

The present study deals with the formulation of minimal loading conditions for microscale applications in numerical two-scale modelling (FE²) approaches. From the homogenisation concept, a set of volume average rules constrains the microscale PDE to be solved. They are considered to be the minimal set of loading conditions and can be specified by additional polynomial or periodic assumptions, for example, on the microscale displacement field. Whereas the resulting volume integrals can be transformed into surface integrals for so-called first-order homogenisation schemes, this is not possible for a second-order homogenisation of second gradient or micromorphic effective media substituting a heterogeneous microcontinuum represented by a volume element on the microscale. Several numerical examples compare the minimal loading condition concept with standard techniques discussed in literature.