Vibronic Transitions of Trivalent Er and Ce in BaY2F8 Single Crystals

High resolution (0.02 cm^?1) Fourier transform spectroscopy was applied in the 9–300 K and 100–24,000cm^?1 ranges, respectively, to detect in Er^3? and Ce^3? doped BaY₂F₈ single crystals (1) the narrow line spectra due to the intraconfigurational 4f→4f transitions of the rare earths (RE) and (2) the possible vibronic tails accompanying the zero-phonon lines. The ²F_5/2→²F_7/2 transition was monitored for the Ce^3?-doping and the crystal field splitting of the initial and final manifold was determined. Weak vibronic spectra accompanying six among the nine investigated 4f→4f transitions of Er^3? and the ²F_5/2→²F_7/2 transition of Ce^3? were detected. The vibronic spectra amplitude was found to scale with the RE contents. On the basis of the IR- and Raman-active vibrational modes, either measured or quoted in the literature, most of the vibronic lines could be successfully assigned to the lattice modes. Violations of the selection rules were envisaged and discussed.     

Spectral analysis of pharmaceutical formulations prepared according to ancient recipes in comparison with old museum remains

A study of the composition of the remains of ancient ointments from museums was undertaken to enable understanding of the preparation techniques. Comparison of ancient recipes from different historical periods and spectroscopic characteristics of inorganic and/or organic remains recovered in museum vessels enabled preparation of ancient pharmaceutical–cosmetic formulations. Farmacopea Augustana by Occo was one the most important books studied for the 14 formulations prepared in the laboratory. Three formulations are discussed in detail and raw materials and new preparations were proposed for ozone ageing. The most important micro Raman results are discussed. The spectra of the raw materials lipids, beeswax, and resins are discussed; beeswax and pig suet (axŭngia) Raman spectra were found to be similar, but different from those of the aged oils. SERS was applied to ancient ointments and galbanum and the Raman spectra are reported and discussed for the first time.     

Characterization of fresh and aged natural ingredients used in historical ointments by molecular spectroscopic techniques: IR,Raman and fluorescence

Natural organic materials used to prepare pharmaceutical mixtures including ointments and balsams have been characterized by a combined non-destructive spectroscopic analytical approach. Three classes of materials which include vegetable oils (olive, almond and palm tree), gums (Arabic and Tragacanth) and beeswax are considered in this study according to their widespread use reported in ancient recipes. Micro-FTIR, micro-Raman and fluorescence spectroscopies have been applied to fresh and mildly thermally aged samples. Vibrational characterization of these organic compounds is reported together with tabulated frequencies, highlighting all spectral features and changes in spectra which occur following artificial aging. Synchronous fluorescence spectroscopy has been shown to be particularly useful for the assessment of changes in oils after aging; spectral difference between Tragacanth and Arabic gum could be due to variations in origin and processing of raw materials. Analysis of these materials using non-destructive spectroscopic techniques provided important analytical information which could be used to guide further study.     

Optical Spectroscopy of YPO4 Single Crystals Doped with Ho3+

ABSTRACT

Crystal field absorption and emission spectra originated by ⁵I₈ ? ⁵F₅ transitions, due to Ho³⁺ (1% molar fraction) in a YPO₄ single crystal, were investigated in the 15000 to 16000 cm^?1 range. Fourier Transform high resolution absorption measurements, performed in the 9 to 300 K range, and photoluminescence, monitored at 10 K upon 540 nm excitation, supplied the sublevel separations within both ⁵I₈ and ⁵F₅ manifolds. The sublevel positions were compared to those calculated by diagonalization of the full 4f-configuration matrix in the framework of a single-ion model. The results are discussed also in relation with experimental data previously reported for similar systems containing Ho³⁺.     

An algorithm to estimate anatomical connectivity between brain regions using diffusion MRI

The study of anatomical connectivity is essential for interpreting functional MRI data and for establishing how brain areas are linked together into networks to support higher-order functions. Diffusion-weighted MR images (DWI) and tractography provide a unique noninvasive tool to explore the connectional architecture of the brain. The identification of anatomical circuits associated with a specific function can be better accomplished by the joint application of diffusion and functional MRI. In this article, we propose a simple algorithm to identify the set of pathways between two regions of interest. The method is based upon running deterministic tractography from all possible starting positions in the brain and selecting trajectories that intersect both regions. We compare results from single-fiber tractography using diffusion tensor imaging and from multi-fiber tractography using reduced-encoding persistent angular structure (PAS) MRI on standard DWI datasets from healthy human volunteers. Our results show that, in comparison with single-fiber tractography, the multi-fiber technique reveals additional putative routes of connection. We demonstrate highly consistent results of the proposed technique over a cohort of 16 healthy subjects.     

Fundamental Role of the H-Bond Interaction in the Dissociation of NH_{3} on Si(001)-(2×1)

Further insight into the dissociative adsorption of NH_{3} on Si(001) has been obtained using a combined computational and experimental approach. A novel route leading to the dissociation of the chemisorbed NH_{3} is proposed, based on H-bonding interactions between the gas phase and the chemisorbed NH_{3} molecules. Our model, complemented by synchrotron radiation photoelectron spectroscopy measurements, demonstrates that the low temperature dissociation of molecular chemisorbed NH_{3} is driven by the continuous flux of ammonia molecules from the gas phase.     

Stability of slender beams and frames resting on 2D elastic half-space

Making use of a mixed variational formulation based on the Green function of the substrate, which assumes as independent fields the structure displacements and the contact pressure, a simple and efficient finite element-boundary integral equation coupling method is derived and applied to the stability analysis of beams and frames resting on an elastic half-plane. Slender Euler–Bernoulli beams with different combinations of end constraints are considered. The examples illustrate the convergence to the existing exact solutions and provide new estimates of the buckling loads for different boundary conditions. Finally, nonlinear incremental analyses of rectangular pipes with compressed columns and free or pinned foundation ends are performed, showing that pipes stiffer than the soil may exhibit snap-through instability.     

In plane loaded masonry walls: DEM and FEM/DEM models. A critical review

This work is dedicated to the assessment of the nonlinear behaviour of masonry panels with regular texture and subject to in-plane loads, by means of numerical pushover analysis and an analytical homogenized model. Two numerical models are considered and adopted for performing a set of numerical tests: a discrete model developed by authors and a discrete/finite element model frequently adopted in rock mechanics field and effectively extended to masonry structures. In both models the hypotheses of rigid blocks and elastic–plastic joints following a Mohr–Coulomb yield criterion are adopted. The aim of this work is twofold: (1) a comparison and a calibration of the numerical models, evaluating their effectiveness in determining ultimate loads and collapse mechanisms of masonry panels, by assuming a nonlinear homogenized model for regular masonry as reference solution; (2) the evaluation of sensitivity of masonry behaviour and numerical models to panel dimension ratio and to varying masonry texture. In a first case study, sliding collapse mechanisms changing to overturning collapse mechanisms for increasing panel and block height-to-width ratio are obtained and the results given by the numerical models turn out to be in good agreement. Furthermore, a second case study, dedicated to square panels supported at base ends and vertically loaded, shows different ‘arch mechanisms’ depending on block height-to-width ratio.     

THE EFFECT OF LIGHT QUALITY IN Prunus cerasus. I. PHOTORECEPTORS INVOLVED IN INTERNODE ELONGATION AND LEAF EXPANSION IN JUVENILE PLANTS

Evidence is presented to suggest that stem elongation in this woody species is controlled not only by phytochrome as previously suggested for other woody species, but also by a specific blue absorbing pigment (BAP). In contrast, the BAP seems to have no role to play in the development of total leaf area in these juvenile specimens.     

Effect of deuteration on the infrared spectra of crystalline metal formates

The laser Raman and IR spectra of tribromoacetylchloride have been recorded and vibrational assignments are proposed.