Reactions of [(Cp)2Ti(NCS)2] as a potential metalloligand; synthesis and physico-chemical investigations of novel heterobimetallic complexes

Summary Bis(cyclopentadienyl)titanium(IV) diisothiocyanate [(Cp)₂-Ti(NCS)₂] reacts with MCl₂ (M = Cu, Pd or Pt), [CuCl(PPh₃)₃], [RuCl₂(PPh₃)₃] and [RuCl₂(DMSO)₄] (DMSO = dimethylsulphoxide) giving solid compounds of stochiometry [(Cp)₂Ti(-NCS)₂MCl₂] (M = Cu, Pd or Pt), [(Cp)₂Ti(-NCS)₂CuCl(PPh₃)], [(Cp)₂Ti(-NCS)₂-RuCl(PPh₃)₂]Cl and [(Cp)₂Ti(-NCS)₂RuCl₂(DMSO)2]. These products have been characterized by physicochemical and spectroscopic methods.     

Hardy spaces and Laguerre expansions on the dual of the Heisenberg group

Sia D il dominio di Siegel e H_n il gruppo di Heisenberg. Si considera il sistema ortogonale ottenuto dai monomi normalizzati delta palla unitaria di ⁿ⁺¹ tramite la trasformata di Cayley. La trasformata di Fourier di tali funzioni ristrette ad H_n viene esplicitamente calcolata. Rispetto alla base di Hermite di L²( ⁿ ), si ottengono operatori di rango uno espressi in termini di funzioni di Laguerre.     

Synthesis of N-substituted piperazinyl carbamoyl and acetyl derivatives of tetrahydropapaverine: potent antispasmodic agents

The synthesis and structure-activity-relationship (SAR) for a series of N-substituted piperazinyl carbamoyl 7-15 and piperazinyl acetyl 18-26 derivatives of tetrahydropapaverine have been carried out. The general synthetic methods of carbamoyl tetrahydropapaverine analogues involve N-substituted piperazines and carbamoyl imidazole tetrahydropapaverine as starting materials. Another route for synthesizing these compounds, involving the formation of carbamoyl imidazole piperazine has also been explored. Acylation of tetrahydropapaverine followed by substitution with various piperazinyl moities afforded the acetyl tetrahydropapaverine derivatives. Variously substituted piperazines have been used to monitor the effect of electron releasing and electron withdrawing substituents upon the antispasmodic activity of the molecules. Effect of varying electron densities on the antispasmodic activity, by altering the position of these groups on the benzene ring has also been monitored. Pharmacological methods involve the in vitro antispasmodic activity studies on a freshly removed guinea pig ileum using a force displacement transducer amplifier connected to a physiograph. Among the analogues synthesized in the present study, a promising compound 7, a potent muscle relaxant as compared to papaverine has been obtained.     

Comparison of sediment pollution in the rivers of the Hungarian Upper Tisza Region using non-destructive analytical techniques

The rivers in the Hungarian Upper Tisza Region are frequently polluted mainly due to mining activities in the catchment area. At the beginning of 2000, two major mining accidents occurred in the Romanian part of the catchment area due to the failure of a tailings dam releasing huge amounts of cyanide and heavy metals to the rivers. Surface sediment as well as water samples were collected at six sites in the years 2000–2003, from the northeast-Hungarian section of the Tisza, Szamos and Túr rivers. The sediment pollution of the rivers was compared based on measurements of bulk material and selected single particles, in order to relate the observed compositions and chemical states of metals to the possible sources and weathering of pollution. Non-destructive X-ray analytical methods were applied in order to obtain different kinds of information from the same samples or particles. In order to identify the pollution sources, their magnitude and fate, complementary analyses were carried out. Heterogeneous particulate samples were analyzed from a large geographical territory and a 4-year time period. Individual particles were analyzed only from the “hot” samples that showed elevated concentrations of heavy metals. Particles that were classified as anthropogenic were finally analyzed to identify trace concentrations and chemical states of heavy metals.     

Thin-Layer Chromatographic Separation of Cadaverine and Ornithine,and Spectrophotometric Quantification

JPC – Journal of Planar Chromatography – Modern TLC -     

Relativistic molecular wavefunctions: XeF2

A new method is presented to calculate binding energies and eigenfunctions for molecules, using the relativistic Dirac hamiltonian. A numerical basis set of four component wavefunctions is obtained from atom-like Dirac-Slater wavefunctions. A discrete variational method has been developed and applied to the linear XeF₂ molecule.     

On the estimation of stability parameters from heat-induced conformational transition curves of proteins

A method is suggested to determine valid and authentic values of thermodynamic stability parameters of proteins from their heat-induced conformational transition curves. We show (a) that the estimate of ΔH_m ^van, the enthalpy change on denaturation at T_m, the midpoint of denaturation, is significantly less than ΔH_m ^cal, the value obtained by the calorimetric measurements, if the analysis of the conformational transition curve uses the conventional method which assumes a linear temperature-dependence of the pre- and post-transition baselines; and (b) that there exists an excellent agreement between ΔH_m ^van and ΔH_m ^cal values of proteins, if the analysis of thermal denaturation curves assumes that the temperature-dependence of pre- and post-transition baselines is described by a parabolic function. The latter analysis is supported by our observations that the temperaturedependencies of the absorption and circular dichroism properties of protein groups are indeed nonlinear. It is observed that the estimate of ΔC_p, the constant-pressure heat capacity change is independent of the model used to describe the temperaturedependence of the pre- and post-transition baselines. An important conclusion is that for proteins which exhibit a two-state character, all stability parameters are measured with the same error as that observed with a calorimeter.