Use of thermal analysis to predict the conditions for thermal explosion to occur: application to a Ce triethanolamine complex

Journal of Thermal Analysis and Calorimetry - Thermal energy storage (TES) has been identified as a breakthrough concept in development of renewable technologies. However, the main challenges are...     

Linear Estimation of the Number of Zeros of Abelian Integrals for Some Cubic Isochronous Centers

This paper consists of two parts. In the first part we study the relationship between conic centers (all orbits near a singular point of center type are conics) and isochronous centers of polynomial systems. In the second part we study the number of limit cycles that bifurcate from the periodic orbits of cubic reversible isochronous centers having all their orbits formed by conics, when we perturb such systems inside the class of all polynomial systems of degree n.     

Integrability and algebraic limit cycles for polynomial differential systems with homogeneous nonlinearities

We consider the class of polynomial differential equations , where P_n and Q_n are homogeneous polynomials of degree n. These systems have a focus at the origin if λ≠0, and have either a center or a focus if λ=0. Inside this class we identify a new subclass of Darbouxian integrable systems having either a focus or a center at the origin. Additionally, under generic conditions such Darbouxian integrable systems can have at most one limit cycle, and when it exists is algebraic. For the case n=2 and 3, we present new classes of Darbouxian integrable systems having a focus.     

Synthesis of ring-oxidized retinoids as substrates of mouse class I alcohol dehydrogenase (ADH1)

Ring-oxidized retinoids have been synthesized stereoselectively using the Stille cross-coupling reaction. Kinetic constants of mouse class I alcohol dehydrogenase (ADH1) with these retinoids were determined.     

Alkaline side-coordination strategy for the design of nickel(II) and nickel(III) bis(1,2-diselenolene) complex based materials

The deprotonated form of the pyrazine-2,3-diselenol (pds) ligand, pds(2-), reacts with Ni(II) inorganic salts to form the nickel compounds [Ni(II)(pds)(2)](nBu(4)N)(2) (1), [Ni(II)(pds)(2)]Na(2).2H(2)O (2), and [Ni(III)(pds)(2)](2)Na(2).4H(2)O (3), depending on the reaction conditions. They are characterized by NMR, EPR, UV-vis, and IR spectroscopies, elemental analysis, cyclic voltammetry, and X-ray crystallography. The crystal structure of compound 3 shows the formation of segregated stacks of Ni(pds)(2-) units, with a strong dimerization along the stacks. The stacked fashion of the crystal packing was expected since the supramolecular forces of the alkaline side coordination to the pyrazine moieties dominate, as happens in the recently reported analogous copper system [Cu(III)(pds)(2)]Na.2H(2)O. The structure of 2 further emphasizes the alkaline coordination as the dominating supramolecular event, and an orthogonal array of 2D layers is observed. The absence of alkaline cations in complex 1 is reflected in a crystal packing with isolated complex Ni(pds)(2)(2-) units. The dimerization found in the paramagnetic Ni(III) complex 3 promotes a very strong antiferromagnetic interaction, leading to a singlet ground state.     

Highly stereoselective aldol reactions of titanium enolates from lactate-derived chiral ketones

[reaction: see text] Highly stereoselective titanium-mediated aldol reactions based on lactate-derived ketones are reported. The stereochemical outcome of the process depends on the protecting group (PMB or Bn) and the Lewis acid (i-PrOTiCl(3) or TiCl(4)) used in the enolization step, the corresponding anti-syn or syn-syn aldols being prepared in high yields and with diastereomeric ratios up to 99:1.     

Ion binding to polyelectrolytes: Monte Carlo simulations versus classical mean field theories

The influence of ion size and surface charge model in titrations of ionizable polyelectrolytes is studied by means of the Semi Grand Canonical Monte Carlo simulation method in the context of the primitive model. Three models describing a discrete distribution of charged functional groups on the polyelectrolyte and different values for the radius of the background electrolyte spanning from ionic to hydrated radii values were analyzed. The polyelectrolyte titrations were simulated by calculating the degree of ionization versus pH curves at two ionic strengths. The results allow us to quantify the impact of the sizes of the background salt ions and surface functional groups of the polyelectrolyte on the dissociation degree. This influence is explained in terms of the effectiveness of the screening of the charged surface sites. Finally, by comparison with the Non-Linear Poisson–Boltzmann model, the influence of ionic correlations and finite size of the solution ions is assessed.