Current-induced exchange interactions and effective temperature in localized moment systems

We study theoretically the spin dynamics of a magnetic dimer serving as a contact between two electrodes. We find that the spin-spin coupling in the dimer can be dramatically modified from its equilibrium value. We show that the interaction can be tuned in such a way that it effectively changes its sign. The calculations show that, for large enough bias, the exchange interaction can even be changed from antiferromagnetic to ferromagnetic. The physical principles behind this result can be used as a new tool to achieve magneto-electric effects in molecular magnet systems.     

Fractional diffusion models of option prices in markets with jumps

Most of the recent literature dealing with the modeling of financial assets assumes that the underlying dynamics of equity prices follow a jump process or a Lévy process. This is done to incorporate rare or extreme events not captured by Gaussian models. Of those financial models proposed, the most interesting include the CGMY, KoBoL and FMLS. All of these capture some of the most important characteristics of the dynamics of stock prices. In this article we show that for these particular Lévy processes, the prices of financial derivatives, such as European-style options, satisfy a fractional partial differential equation (FPDE). As an application, we use numerical techniques to price exotic options, in particular barrier options, by solving the corresponding FPDEs derived.     

Combustion wave propagation in mixtures of JSC-1A lunar regolith simulant with magnesium

Combustion of lunar regolith mixed with energetic additives is a potential method for production of construction materials in future moon missions. Recently, self-sustained combustion in the mixtures of JSC-1A lunar regolith and magnesium has been demonstrated. However, the concentration of magnesium in those mixtures was as high as 26 wt%. Note that magnesium must be either transported from Earth or recovered from lunar minerals or used structures. The present paper focuses on the minimization of magnesium content in JSC-1A/Mg mixtures. The mixtures were compacted into pellets and ignited in argon environment. Initial attempts to decrease magnesium concentration resulted in the observations of a spinning combustion wave at 23 wt% Mg. The observed spin combustion involved periodical motion of two counterpropagating hot spots along a helical path on the sample surface. These observations, including features such as formation of a faster hot spot after collision of the counterpropagating spots, confirm theoretical predictions for spin combustion in solid–solid mixtures. High-energy mechanical milling of JSC-1A in a planetary ball mill significantly increased its reactivity and improved combustion of its mixtures with magnesium. Mixtures of the obtained powder (the median diameter of about 3 μm) with 26 wt% Mg exhibit easy ignition and vigorous combustion. The minimum concentration of magnesium required for self-sustained propagation of a planar combustion front is as low as 13 wt%.     

Synthesis of 1-aryl-3H-[1,2,5]triazepino[5,4-a]benzimidazol-4(5H)-ones and quantum chemical investigation of the rotamers of the Boc-protected hydrazide key intermediate

1. Download : Download high-res image (123KB)
2. Download : Download full-size image

     

Uncertainty Inequality for the Entanglement of Both Two-rebits and Two-qubits States

We assume that both the concurrence C_r of a two-rebits state and the concurrence C_q of the usual two-qubits states are represented by hermitian operators (observables). We calculate the respective uncertainty ΔC_r and the uncertainty ΔC_q measured both as the standard deviation . We make the strictly mathematical assumption that there exists a canonical conjugate variable (called ξ) to the concurrence (C) such that both quantities satisfy a Robertson’s [1] uncertainty inequality of the form \( {\left(\Delta A\right)}^2{\left(\Delta B\right)}^2>{\left|\frac{1}{2}\left\langle \right[A,B\left]\right\rangle \right|}^2 \). From such inequality we impose bounds for both uncertainties Δξ_r and Δξ_q.

     

Two Types of σ-Allenyl Complexes from Reactions of Silylenes and Germylenes with Chromium Fischer Alkynyl(alkoxy)carbenes

The reactivity of amidinatotetrylenes of the type E(tBu₂bzm)R¹ (E=Si, Ge; tBu₂bzm=N,N′-bis(tertbutyl)benzamidinate; R¹=alkyl or aryl) with the chromium Fischer alkynylcarbene complexes [Cr{C(OEt)C₂R²}(CO)₅] (R²=Ph; ferrocenyl, Fc) has been studied. At room temperature, two different reaction pathways have been identified: (a) attack of the amidinatotetrylene to the alkynyl C² atom (γ-attack), which leads to σ-allenyl complexes in which the original C_carbene atom maintains its attachment to the Cr(CO)₅ and OEt groups (compounds 3 ), and (b) attack of the amidinatotetrylene to the C_carbene atom (α-attack), which ends in σ-allenyl complexes in which the original C_carbene atom is not attached to the metal atom and has been inserted into an E−N bond of the amidinatotetrylene forming an E-C-N-C-N five-membered ring (compounds 4 ). It has been found that compounds 3 are thermodynamically less stable than their corresponding 4 isomers and that some of the former (E=Ge; R¹=CH₂SiMe₃) can be transformed into the latter upon heating. At high temperatures (>70 °C) the reactions involving bulky amidinatotetrylenes (R¹=Mes, tBu) end in the carbene-substitution products [Cr{E(tBu₂bzm)R¹}(CO)₅].     

Onset of Chiral Adenine Surface Growth

The structure and stability of adenine crystals and thin layers has been studied by using scanning tunneling microscopy, X‐ray diffraction, and density functional theory calculations. We have found that adenine crystals can be grown in two phases that are energetically quasi‐degenerate, the structure of which can be described as a pile‐up of 2D adenine planes. In each plane, the structure can be described as an aggregation of adenine dimers. Under certain conditions, kinetic effects can favor the growth of the less stable phase. These results have been used to understand the growth of adenine thin films on gold under ultra‐high vacuum conditions. We have found that the grown phase corresponds to the α‐phase, which is composed of stacked prochiral planes. In this way, the adenine nanocrystals exhibit a surface that is enantiopure. These results could open new insight into the applications of adenine in biological, medical, and enantioselective or pharmaceutical fields.     

Achiral diacrylate with an anticlinic smectic phase

We present an achiral diacrylate that shows a phase transition from the synclinic smectic C phase (SmC) to the anticlinic smectic C (SmCalt). This last phase has been previously reported only for swallow-tailed or dimeric compounds. Our studies using differential scanning calorimetry, X-ray diffraction, polarizing optical microscopy and broad band dielectric spectroscopy suggest the existence of this mesophase in this bifunctional smectogen.     

An evaluation of antifouling booster biocides in Gran Canaria coastal waters using SPE-LC MS/MS

A solid phase extraction (SPE) technique for seawater samples coupled to quantification using liquid chromatography tandem-mass spectrometry (LC-MS/MS) is described to quantify relevant antifouling booster biocides of ecotoxicological concern (Diuron, TCMTB, Irgarol 1051 and Dichlofluanid). The optimised methodology provides a sensitive, easy to use and efficient analytical procedure with detection limits in the range of between 0.1 and 0.2?ng?L^?1 and appropriate reproducibility (with analytical standard deviations of less than 10%). Spiked recoveries for all compounds exceeded 72%. The method was tested through a thorough monitoring regime of commercial port and marinas on the island of Gran Canaria (off the north-west coast of Africa) over a period of several months in 2008. Results provide the first data for antifouling booster biocides in the Canary Islands. Concentrations of Diuron and Irgarol 1051 in samples ranged between 2 and 195?ng?L^?1 and 2 and 146?ng?L^?1, respectively. TCMTB and Dichlofluanid were not detected.     

Recent Analytical Approaches for the Study of Bioavailability and Metabolism of Bioactive Phenolic Compounds

The study of the bioavailability of bioactive compounds is a fundamental step for the development of applications based on them, such as nutraceuticals, functional foods or cosmeceuticals. It is well-known that these compounds can undergo metabolic reactions before reaching therapeutic targets, which may also affect their bioactivity and possible applications. All recent studies that have focused on bioavailability and metabolism of phenolic and terpenoid compounds have been developed because of the advances in analytical chemistry and metabolomics approaches. The purpose of this review is to show the role of analytical chemistry and metabolomics in this field of knowledge. In this context, the different steps of the analytical chemistry workflow (design study, sample treatment, analytical techniques and data processing) applied in bioavailability and metabolism in vivo studies are detailed, as well as the most relevant results obtained from them.