Reversibility in Infinite Hamiltonian Systems with Conservative Noise

The set of stationary measures of an infinite Hamiltonian system with noise is investigated. The model consists of particles moving in with bounded velocities and subject to a noise that does not violate the classical laws of conservation, see [OVY]. Following [LO] we assume that the noise has also a finite radius of interaction, and prove that translation invariant stationary states of finite specific entropy are reversible with respect to the stochastic component of the evolution. Therefore the results of [LO] imply that such invariant measures are superpositions of Gibbs states. Received: 26 September 1996 / Accepted: 3 January 1997     

Complex Geometry and Dirac Equation

Complex geometry represents a fundamentalingredient in the formulation of the Dirac equation bythe Clifford algebra. The choice of appropriate complexgeometries is strictly related to the geometricinterpretation of the complex imaginary unit . We discuss two possibilities which appearin the multivector algebra approach: the₁₂₃ and ₂₁ complexgeometries. Our formalism provides a set of rules which allows an immediate translation between thecomplex standard Dirac theory and its version withingeometric algebra. The problem concerning a doublegeometric interpretation for the complex imaginary unit is also discussed.     

Cosmological dark energy effects from entanglement

The thorny issue of relating information theory to cosmology is here addressed by assuming a possible connection between quantum entanglement measures and observable universe. In particular, we propose a cosmological toy model, where the equation of state of the cosmological fluid, which drives the today observed cosmic acceleration, can be inferred from quantum entanglement between different cosmological epochs. In such a way the dynamical dark energy results as byproduct of quantum entanglement.     

Electrochemical behavior of active surface layers in AA8xxx aluminum alloys

AA8xxx alloys employed in the HVAC&R sector (heating, ventilating, air conditioning, and refrigerating) were investigated to highlight the effect of active surface layers in heat-exchanger fins. The local behavior of the surface and the bulk of the alloy sheets was studied by means of an electrochemical microcell in combination with glow-discharge optical-emission spectrometry. Surface layers strongly enhance the electrochemical activity of the fin material. This is related to the segregation of Mg and other elements (Sn) strongly impairing the protective behavior of the oxide film generated during thermomechanical processing.     

Speciation of phytate ion in aqueous solution. Cadmium(II) interactions in aqueous NaCl at different ionic strengths

Interactions between myo-inositol 1,2,3,4,5,6-hexakis(dihydrogen phosphate) (phytic acid) and cadmium(II) were studied by using potentiometry (at 25 °C with the ISE-H⁺ glass electrode) in different metal to ligand (Phy) ratios (1:1≤Cd²⁺:Phy≤4:1) in NaCl_aq at different ionic strengths (0.1≤I/mol L⁻¹≤1). Nine Cd_iH_jPhy^{(12−2i−j)−} species are formed with i=1 and 2 and 4≤j≤7; and trinuclear Cd₃H₄Phy²⁻. Dependence of complex formation constants on ionic strength was modeled by using Specific ion Interaction Theory (SIT) equations. Phytate and cadmium speciation are also dependent on the metal to ligand ratio. Stability of Cd_iH_jPhy^{(12−2i−j)−} species was modeled as a function of both the ligand protonation step (j) and the number of metal cations bound to phytate (i), and relationships found were used for the prediction of species other than those experimentally determined (mainly di- and tri-protonated complexes), allowing the possibility of modeling Phy and Cd(II) behavior in natural waters and biological fluids. A critical evaluation of phytate sequestering ability toward cadmium(II) has been made under several experimental conditions, and the determination of an empirical parameter has been proposed for an objective “quantification” of this ability. A thorough analysis of literature data on phytate–cadmium(II) complexes has been performed. Previous contributions to this series: [1–8]     

Defining the nucleotide binding sites of P2Y receptors using rhodopsin-based homology modeling

Ongoing efforts to model P2Y receptors for extracellular nucleotides, i.e., endogenous ADP, ATP, UDP, UTP, and UDP-glucose, were summarized and correlated for the eight known subtypes. The rhodopsin-based homology modeling of the P2Y receptors is supported by a growing body of site-directed mutagenesis data, mainly for P2Y₁ receptors. By comparing molecular models of the P2Y receptors, it was concluded that nucleotide binding could occur in the upper part of the helical bundle, with the ribose moiety accommodated between transmembrane domain (TM) 3 and TM7. The nucleobase was oriented towards TM1, TM2, and TM7, in the direction of the extracellular side of the receptor. The phosphate chain was oriented towards TM6, in the direction of the extracellular loops (ELs), and was coordinated by three critical cationic residues. In particular, in the P2Y₁, P2Y₂, P2Y₄, and P2Y₆ receptors the nucleotide ligands had very similar positions. ADP in the P2Y₁₂ receptor was located deeper inside the receptor in comparison to other subtypes, and the uridine moiety of UDP-glucose in the P2Y₁₄ receptor was located even deeper and shifted toward TM7. In general, these findings are in agreement with the proposed binding site of small molecules to other class A GPCRs.     

Low density polyethylene by tandem catalysis with single site Ti(IV)/Co(II) catalysts

A variety of branched polyethylenes (PE), ranging from semicrystalline linear low density polyethylene to completely amorphous low density polyethylene and rubbery PE, can be produced from ethylene alone by tandem catalysis using as oligomerization catalysts the (imino)pyridyl Co(II) complexes N^BTCoCl₂ (1) ({6-(benzo[b]thiophen-2-yl)-2-(imine)pyridyl)}CoCl₂), N^ETCoCl₂ (2) ({6-(4-ethylthiophen-2-yl)-2-(imine)pyridyl)}CoCl₂), or N^PhCoCl₂ (3) ({6-(phenyl)-2-(imine)pyridyl)}CoCl₂) and as a copolymerization catalyst [η⁵-C₅Me₄)SiMe₂(t-BuN)]TiCl₂ (4). The catalytic activity of the systems 1/4/MAO, 2/4/MAO, and 3/4/MAO has been evaluated under comparable experimental conditions (T = 30°C, [ethylene] = 0.35 mol/l), varying the molar fraction of the cobalt precursors. A positive comonomer effect was observed for all the systems investigated. The maximum productivity (4570 kg PE (mol Ti)⁻¹ h⁻¹) was obtained for the benzothiophenyl-substituted cobalt complex. An effective control of the branching in the polymer backbone was achieved by varying either the oligomerization catalyst or its molar fraction. Completely amorphous materials with T _g as low as-60°C could be obtained. The text was submitted by the authors in English.     

Hydrolysis of (CH3)3Sn+ in Various Salt Media

The hydrolysis of trimethyltin(IV) has been studied by potentiometry (H⁺ -glass electrode) and calorimetry in various salt media (NaNO₃, NaCl, KCl, Na₂SO₄, and NaNO₃—NaCl mixtures). The effect of ionic strength on the hydrolysis constants is accounted for by a simple Debye–Hückel type equation and by Pitzer equations. The results allow us to obtain H for hydrolysis and the temperature dependence of the Pitzer parameters. The resulting coefficients can be used to examine the speciation of (CH₃)₃Sn⁺ in multicomponent electrolyte solutions, such as natural waters, over a wide range of temperature and ionic strength.     

Physical and electrochemical properties of N-alkyl-N-methylpyrrolidinium bis(fluorosulfonyl)imide ionic liquids: PY13FSI and PY14FSI

Two ionic liquids based upon N-alkyl-N-methylpyrrolidinium cations (PY(1R)(+)) (R=3 for propyl or 4 for butyl) and the bis(fluorosulfonyl)imide (FSI(-)), N(SO2F)2(-), anion have been extensively characterized. The ionic conductivity and viscosity of these materials are found to be among the highest and lowest, respectively, reported for aprotic ionic liquids. Both ionic liquids crystallize readily on cooling and undergo several solid-solid phase transitions on heating prior to melting. PY13FSI and PY14FSI are found to melt at -9 and -18 degrees C, respectively. The thermal stability of PY13FSI and PY14FSI is notably lower than for the analogous salts with the bis(trifluoromethanesulfonyl)imide (TFSI(-)), N(SO2CF3)2(-), anion. Both ionic liquids have a relatively wide electrochemical stability window of approximately 5 V.     

A full multiple scattering model for the analysis of time-resolved X-ray difference absorption spectra

A full multiple theoretical model (MXAN) is applied to fit picosecond difference X-ray absorption spectra at the ruthenium L(3) edge upon photoexcitation of aqueous [RuII(bpy)3]2+. We show that fitting difference spectra allows an increase in sensitivity, such that slight structural changes can be retrieved, which are not detected in fitting full spectra. The Ru-N bond distances of the excited complex in the (3)MLCT state are in good agreement with recently published values. The implementation of the present approach to L-edge spectra and its high sensitivity opens opportunities for its extension to a large class of experiments where difference X-ray absorption spectra are recorded.