Energies and spatial features for the rotationless bound states of 4He3+(2Sigmag+): a cationic core from helium cluster ionization

Ab initio quantum calculations have been carried out on the helium ionic trimer. The potential energy surface is accurately fitted, especially in the vicinity of the three equivalent minima. The spectrum of bound states for the zero angular momentum is computed and analyzed in detail. Energies and wave functions reveal several interesting features related to the fact that He3+ represents one of the few homonuclear ionic trimers that are linear in their ground vibrational state. At low energies, the triply degenerate eigenfunctions are localized at the potential minimum. With growing excitation energy, however, the wave functions exhibit stronger spatial delocalization.     

Direct spectroscopic evidence for competition between thermal molecular agitation and magnetic field in a tetrameric protein in aqueous solution

Samples of a typical tetrameric protein, the hemoglobin, at the concentration of 150 mg/ml in bidistilled water solution, were exposed to a uniform magnetic field at 200 mT at different temperatures of ${15}^{°}\text{C}$, ${40}^{°}\text{C}$ and ${65}^{°}\text{C}$. Fourier Transform Infrared Spectroscopy was used to analyze the response of the secondary structure of the protein to both stress agents, heating and static magnetic field. The most relevant result which was observed was the significant increasing in intensity of the Amide I band after exposure to the uniform magnetic field at the room temperature of ${15}^{°}\text{C}$. This result can be explained assuming that protein's α-helices aligned along the direction of the applied magnetic field due to their large dipole moment, inducing the alignment of the entire protein. Increasing of temperature up to ${40}^{°}\text{C}$ and ${65}^{°}\text{C}$ induced a significant reduction of the increasing in intensity of the Amide I band. This effect may be easily explained assuming that Brownian motion of the protein in water solution caused by thermal molecular agitation increased with increasing of temperature, contrasting the effect of the torque of the magnetic field applied to the protein in water solution.     

Extreme gravity tests with gravitational waves from compact binary coalescences: (I) inspiral–merger

The observation of the inspiral and merger of compact binaries by the LIGO/Virgo collaboration ushered in a new era in the study of strong-field gravity. We review current and future tests of strong gravity and of the Kerr paradigm with gravitational-wave interferometers, both within a theory-agnostic framework (the parametrized post-Einsteinian formalism) and in the context of specific modified theories of gravity (scalar–tensor, Einstein–dilaton–Gauss–Bonnet, dynamical Chern–Simons, Lorentz-violating, and extra dimensional theories). In this contribution we focus on (i) the information carried by the inspiral radiation, and (ii) recent progress in numerical simulations of compact binary mergers in modified gravity.     

Non-Thermal Effects of Microwave Oven Heating on Ground Beef Meat Studied in the Mid-Infrared Region by Fourier Transform Infrared Spectroscopy

The effects of cooking by microwave oven on the secondary structure of lipid and protein contents in bovine ground beef were investigated in the midinfrared region by Fourier transform infrared (FTIR) spectroscopy to highlight the nonthermal effects of microwave oven heating. Samples of bovine ground beef were cooked in a conventional electric oven at the temperature of 175°C for 15 min and in a microwave oven at 800 W for 1½ min. Spectra analyses of bovine meat after cooking in the conventional oven evidenced a relevant increase in intensity of the carbonyl band at 1742 cm^?1 and of the methylene group at 2921 and 2853 cm^?1 that can be attributed to the Maillard reaction. In contrast, the increase in intensity of these bands after microwave oven heating was less than that which occurred after conventional cooking, showing that the temperature in ground beef meat samples during microwave heating was less than that induced by conventional heating. Spectral analysis in the amide I, II, and III regions showed that a significant increase in intensity occurred in the region from 1660 to 1675 cm^?1 and around 1695, 1635, 1575, and 988 cm^?1 after cooking by means of a microwave oven. These features, which can be attributed to β-turns and β-sheet structures, are characteristic of disorder processes in meat protein contents and increasing transition dipole coupling due to higher contents in aggregated β-sheet structures. This result highlighted nonthermal effects of microwave oven heating in the protein's secondary structure.     

Dipyridylketone as a versatile ligand precursor for new cationic heteroleptic cyclometalated iridium complexes

Three new bis-cyclometalated iridium(III) complexes, of general formula [Ir(2-phenylpyridine)(2)(L)](+), are reported. The compounds contain a dipyridine-type ligand (L) derived from di-2-pyridylketone (dipyridin-2-ylmethanol, 2,2'-(hydrazonomethylene)dipyridine and 3-hydroxy-3,3-di(pyridine-2-yl)propanenitrile) and were synthesized through two different reaction pathways. The alternative synthetic pathway herein proposed, namely the direct reactions on the complex [Ir(2-phenylpyridine)(2)(2,2'-dipyridylketone)](+), overcame the inconveniences encountered with the standard reaction between the dimeric precursor [Ir(2-phenylpyridine)(2)(μ-Cl)](2) and the ancillary ligands (L). The photophysical characterization of the iridium complexes reveals that modifications on the ancillary ligand introduce large changes in the photophysical behaviour of the complexes. High emission quantum yield is associated with the presence of a saturated carbon between the two pyridyl moieties: [Ir(2-phenylpyridine)(2)(2,2'-dipyridylketone)](+) and [Ir(2-phenylpyridine)(2)(2,2'-(hydrazonomethylene)dipyridine)](+) are extremely low emissive, while [Ir(2-phenylpyridine)(2)(dipyridin-2-ylmethanol)](+) and [Ir(2-phenylpyridine)(2)(3-hydroxy-3,3-di(pyridine-2-yl)propanenitrile)](+) are good photoemitters. DFT and TD-DFT calculations confirmed the mixed LC/MLCT character of the excited states involved in the absorption and emission processes and highlighted the role of the π-conjugation between the two subunits of the ancillary ligand in determining the nature of the LUMO.     

Foundations for a Theory of Complex Matroids

We explore a combinatorial theory of linear dependency in complex space, complex matroids, with foundations analogous to those for oriented matroids. We give multiple equivalent axiomatizations of complex matroids, showing that this theory captures properties of linear dependency, orthogonality, and determinants over ? in much the same way that oriented matroids capture the same properties over ?. In addition, our complex matroids come with a canonical S ¹ action analogous to the action of ?^? on a complex vector space. Our phirotopes (analogs of determinants) are the same as those studied previously by Below, Krummeck, and Richter-Gebert (Discrete and Computational Geometry, Springer, pp.?203?C233, 2003) and Delucchi (Diploma Thesis, ETH Zurich, 2003). We further show that complex matroids cannot have vector axioms analogous to those for oriented matroids.