Photophysics of Acetophenone Interacting with DNA: Why the Road to Photosensitization is Open

Deoxyribonucleic acid photosensitization, i.e. the photoinduced electron‐ or energy‐transfer of chromophores interacting with DNA, is a crucial phenomenon that triggers important DNA lesions such as pyrimidine dimerization, even upon absorption of relatively low‐energy radiation. Oxidative lesions may also be produced via the photoinduced production of reactive oxygen species. Aromatic ketones, and acetophenone in particular, are well known for their sensitization effects. In this contribution we model the structural and dynamical properties of the acetophenone/DNA aggregates as well as their spectroscopic and photophysical properties using high‐level hybrid quantum mechanics/molecular mechanics methods. We show that the key steps of the photochemistry of acetophenone in gas phase are conserved in the macromolecular environment and thus an ultrafast singlet–triplet conversion of acetophenone is expected prior to the transfer to DNA.     

Effective elastic shear stiffness of a periodic fibrous composite with non-uniform imperfect contact between the matrix and the fibers

In this contribution, effective elastic moduli are obtained by means of the asymptotic homogenization method, for oblique two-phase fibrous periodic composites with non-uniform imperfect contact conditions at the interface. This work is an extension of previous reported results, where only the perfect contact for elastic or piezoelectric composites under imperfect spring model was considered. The constituents of the composites exhibit transversely isotropic properties. A doubly periodic parallelogram array of cylindrical inclusions under longitudinal shear is considered. The behavior of the shear elastic coefficient for different geometry arrays related to the angle of the cell is studied. As validation of the present method, some numerical examples and comparisons with theoretical results verified that the present model is efficient for the analysis of composites with presence of imperfect interface and parallelogram cell. The effect of the non uniform imperfection on the shear effective property is observed. The present method can provide benchmark results for other numerical and approximate methods.     

Selenium speciation from food source to metabolites: a critical review

Especially in the last decade, a vast number of papers on Se and its role in health issues have been published. This review gives a brief, critical overview of the main analytical findings reported in these papers. Of particular interest is the Se content in different food sources worldwide and the extent to which their consumption is reflected in the Se content of human tissues and body fluids. Several food sources, both natural (Brazil nuts, garlic, Brassica juncea) and Se-enriched (yeast-based supplements), are discussed as to origin, characteristics, Se metabolism and impact of their consumption on the human body. The continuous development of new and improvement of existing analytical techniques has provided different powerful tools to unravel the Se species and their function. An up-to-date literature study on Se speciation analysis is given, illustrating how analytical chemistry in its different facets aids in the identification of Se compounds and provides insight into the complete metabolic pathway of Se throughout the human body. This review includes a detailed image of the current state-of-the-art of Se speciation analysis in these food sources and in human tissues and body fluids.     

Two-particle production inK + p interactions at 32 GeV/c

Results are presented on two-particle inclusive production inK ⁺ p interactions at 32 GeV/c. We study thex _1,2=x ₁+x ₂ dependence of invariant structure functions of (ππ)-pairs and compare them to single particle inclusive distributions in the fragmentation regions. Distributions of particles observed at Feynmanx ₂ in association with various “trigger” particles or systems atx ₁ in the same hemisphere are dicussed in terms of the reduced variable \(\tilde x_2 = x_2 /(1 - |x_1 |)\) . We further present absolute production rates and production ratios of π⁺'s and π^?'s associated with π^±,K _s ⁰ , Λ, \(\bar \Lambda \) ,K ^*+ (890), (K _s ⁰ π⁺), and (π⁺ π^?)-triggers, and compare them with qualitative predictions of the quark recombination model. Forwardbackward correlations between (K _s ⁰ π^±), (K _s ⁰ ,p), (Λ, π^?), \((\bar \Lambda \pi ^ \pm )\) , and (p, π^?) pairs are also discussed.     

The First Synthesis of Organic Diselenolates: Application to the Synthesis of Diorganyl Diselenides

The addition of elemental selenium to organolithium compounds 1 or organic selenates 2 gives organic diselenolates 3 . The reactions proceed by the insertion of two selenium atoms into the carbon–metal bonds or of one selenium atom into a selenolate. Evidence for the existence of n-butyldisilenol has also been obtained.     

Fusion excitation functions near and below the Coulomb barrier for symmetric and asymmetric medium-mass systems

Fusion excitation functions for the systems ¹²C + ^{46, 48, 50}Ti, ^{28, 30}Si + ³⁰Si and ¹⁸O + ⁴⁴Ca have been determined at energies near and below the Coulomb barrier. Inelastic excitation functions for the targets ^{48, 50}Ti and ⁴⁴Ca have been also measured in the same energy range. The absolute cross sections were obtained by in-beam γ-ray spectroscopy technique using a rotating target. Fusion cross sections ranging in magnitude from ～ 0.3 mb to ～ 1300 mb were determined with an accuracy of 10–20%. The fusion excitation functions are analysed in the frame of a semiclassical barrier-penetration model. From the analysis, the height, the radius and the curvature of the fusion barrier for the different systems are extracted. The fusion cross sections are compared with the calculations performed using different heavy-ion potentials. The enhancement of the cross sections at sub-Coulomb energies can be reproduced with a one-dimensional barrier-penetration model taking into account the zero-point motion of the surface of the reaction partners. The fusion cross section of the system ¹⁸O + ⁴⁴Ca is well reproduced by quantum-mechanical calculations, introducing a new degree of freedom taking into account the formation of a neck during the fusion process.     

Effect of oxygen annealing on the Mn properties in ZnMnO Films

We studied the influence of thermal annealing in oxygen on the physical properties of MOCVD grown Zn_1−xMn_xO thin layers. Annealing in the 300–1000 °C temperature range modifies both lattice parameters and magnetic properties of the layers. Correlation of the results from X-ray diffraction, EPR studies and Raman spectroscopy indicate a modification of the Mn⁺²-related features in the ZnO matrix.     

Laser-produced plasma ion characteristics in laser ablation of lithium manganate

Laser ablation is widely used to assist in the fabrication of prototype lithium manganate (LiMn₂O₄) thin film structures for Li-ion battery electrodes via the pulsed laser deposition technique. However, films can be considerably Li and/or O deficient, depending the deposition conditions used. Here we present data on the ionic component of laser-produced plasma in laser ablation of lithium manganate with ns excimer laser. Plasma was monitored using an electrical Langmuir ion probe, in time-of-flight mode in conjunction with mass spectrometry to identify the dominant ionic species. Ablation in vacuum at ∼2.5 J cm⁻² revealed the plasma's ionic component was composed primarily of singly charged Li and Mn ions. The time-of-flight data indicates significant deceleration of the plasma when ablation is carried out in an oxygen background gas pressure of the order of 10 Pa. The implications for thin film growth are considered in terms of the possible gas phase interactions and/or thin film re-sputtering yield.