Calorimetric measurements of diluted spin crossover complexes [FexM1−x(btr)2(NCS)2]·H2O with M = Zn and Ni

Motivated by the application of the First Order Reversal Curve (FORC) technique to obtain a distribution of like spin domains in the spin crossover complexes [Fe_xM_1−x(btr)₂(NCS)₂]·H₂O with M^II = Zn and Ni, we have performed Differential Scanning Calorimetry (DSC) experiments. We have measured the heat capacity in the heating and cooling modes and then calculated the enthalpy and the entropy variations at the phase transition. In the framework of an Ising-like model, we have converted the experimental thermal hysteresis into terms of physical parameters related to these compounds. We have also performed a statistical analysis of these parameters and concluded that the correlation between them increases with the dilution degree of these spin crossover complexes.     

Monte Carlo simulations for 1- and 2D spin crossover compounds using the atom–phonon coupling model

In this contribution we have simulated, using the Monte Carlo–Metropolis technique, the thermal behavior of an one dimensional and of a square lattice spin crossover system.In the one dimensional case, a long-range interaction parameter must be included in order to obtain a thermal hysteresis. For the square lattice we have tacked into account the nearest as well the next-nearest neighbors. We show the role of the elastic constant ratio on the hysteresis width.     

Synthesis,characterization, molecular docking studies and in vitro screening of new metal complexes with Schiff base as antimicrobial and antiproliferative agents

A series of Cu(II), Co(II), Pd(II), Pt(II), Zn(II), Cd(II) and Fe(III) complexes were designed and synthesized using Schiff base 1‐phenyl‐2,3‐dimethyl‐4‐(N‐3‐formyl‐6‐methylchromone)‐3‐pyrazolin‐5‐one (HL). The new metal complexes were investigated using various physicochemical techniques including elemental and thermal analyses, molar electric conductivity and magnetic susceptibility measurements, as well as spectroscopic methods. Also, the crystal structures of ligand HL and the Pd(II) complex were determined using single‐crystal X‐ray diffraction analysis. For all compounds, the antimicrobial activity was studied against a series of standard strains: Staphylococcus aureus, Bacillus cereus, Enterococcus faecalis, Escherichia coli, Acinetobacter baumannii, Candida albicans, Candida krusei and Cryptococcus neoformans. The in vitro antiproliferative activity of the ligand and complexes was evaluated against ten cancer cell lines: MSC, A375, B16 4A5, HT‐29, MCF‐7, HEp‐2, BxPC‐3, RD, MDCK and L20B. At 10 μM concentration a significant cytotoxic effect of the Co(II), Pd(II) and Cd(II) complexes was observed against B16 4A5 murine melanoma cells. The Zn(II) complex is active against HEp‐2, RD and MDCK cancer cell lines, where IC₅₀ values vary between 1.0 and 77.6 and for BxPC‐3 the activity index versus doxorubicin is 3.7 times higher.     

Representations of Hermitian Kernels¶by Means of Krein Spaces.¶II. Invariant Kernels

In this paper we study hermitian kernels invariant under the action of a semigroup with involution. We characterize those hermitian kernels that realize the given action by bounded operators on a Kre?n space. This is motivated by the GNS representation of *-algebras associated to hermitian functionals, the dilation theory of hermitian maps on C ^*-algebras, as well as others. We explain the key role played by the technique of induced Kre?n spaces and a lifting property associated to them. Received: 27 March 2000/ Accepted: 5 September 2000     

On L. Schwartz's Boundedness Condition for Kernels

In previous works we analysed conditions for linearization of Hermitian kernels. The conditions on the kernel turned out to be of a type considered previously by L. Schwartz in the related matter of characterizing the real linear space generated by positive definite kernels. The aim of the present note is to find more concrete expressions of the Schwartz type conditions: in the Hamburger moment problem for Hankel type kernels on the free semigroup, in dilation theory (Stinespring type dilations and Haagerup decomposability), as well as in multi-variable holomorphy. Prof. Tiberius Constantinescu died unexpectly on 29th of July 2005.     

Embeddings, Operator Ranges, and Dirac Operators

We present a generalized operator range construction associated to an indefinite unbounded selfadjoint operator that yields closed embeddings of Kreĭn spaces. As an application we obtain an energy space representation, in the sense of Friedrichs, of a general free Dirac operator.     

Transfinite Thin Plate Spline Interpolation

Duchon’s method of thin plate splines defines a polyharmonic interpolant to scattered data values as the minimizer of a certain integral functional. For transfinite interpolation, i.e., interpolation of continuous data prescribed on curves or hypersurfaces, Kounchev has developed the method of polysplines, which are piecewise polyharmonic functions of fixed smoothness across the given hypersurfaces and satisfy some boundary conditions. Recently, Bejancu has introduced boundary conditions of Beppo–Levi type to construct a semicardinal model for polyspline interpolation to data on an infinite set of parallel hyperplanes. The present paper proves that, for periodic data on a finite set of parallel hyperplanes, the polyspline interpolant satisfying Beppo–Levi boundary conditions is in fact a thin plate spline, i.e., it minimizes a Duchon type functional. The construction and variational characterization of the Beppo–Levi polysplines are based on the analysis of a new class of univariate exponential ℒ-splines satisfying adjoint natural end conditions.