Intra-elemental photoelectron line intensities and their significance to quantitative analysis

Intraelemental relative photoelectron line intensities for 20 pure elements obtained under ultrahigh vacuum (5·10^?9 torr) and high resolution with cleaned surfaces are presented. Theoretical and experimental aspects of relative photoelectron line intensities as well as other characteristics of significance to quantitative analysis are discussed. Experimental data are related to theoretical results and compared with other recent work.     

Transition moment directions of some important in-plane vibrations of uracil,thymine and cytosine. A fixed partial charge model calculation

Transition moment directions for the double-bond region vibrations of uracil, thymine and cytosine are calculated using the fixed partial charge model approximation. The coupling between the two carbonyl bonds and the carbon—carbon double bond in uracil and thymine is sensitive to the choice of the corresponding stretching force constants. The transition moment directions are correspondingly changed, thus, in principle, enabling the quantitative determination of coupling between the vibrations from linear dichroism measurements.     

Wavelet-based reconstruction for limited-angle X-ray tomography

The aim of X-ray tomography is to reconstruct an unknown physical body from a collection of projection images. When the projection images are only available from a limited angle of view, the reconstruction problem is a severely ill-posed inverse problem. Statistical inversion allows stable solution of the limited-angle tomography problem by complementing the measurement data by a priori information. In this work, the unknown attenuation distribution inside the body is represented as a wavelet expansion, and a Besov space prior distribution together with positivity constraint is used. The wavelet expansion is thresholded before reconstruction to reduce the dimension of the computational problem. Feasibility of the method is demonstrated by numerical examples using in vitro data from mammography and dental radiology.     

A reform in undergraduate mathematics curriculum : more emphasis on social and pedagogical skills

The paper describes the changes that are being made in the mathematics teachers' subject studies in the Department of Mathematics at the University of Joensuu, in order to provide our mathematics students both with a sufficiently deep knowledge of mathematics and science, and with present-day expertise in their profession as teachers. While the formal structure of the mathematics curriculum remains structured and taught as courses with mostly traditional names like algebra, analysis, and linear algebra, there are also totally new ‘professionally oriented’ courses. Some of the old courses—with rather traditional and rigorous contents—have been changed in a more student-driven direction. In these ‘pedagogically oriented’ courses students are encouraged, and even forced, to study co-operatively in social interaction, for example to negotiate how to solve a problem decently, or how to build a formal definition for a concept with certain wanted attributes. As an ultimate example of a pedagogical experiment we describe in more detail an abstract algebra course, where co-operative learning is combined with intensive programming in a mathematically oriented computer environment.     

Nonlinear optical and structural properties of langmuir-blodgett films of thiohelicenebisquinones

We provide a detailed investigation of the second-order nonlinear optical and structural properties of Langmuir-Blodgett (LB) films of nonracemic thiohelicenebisquinone (THBQ). We prepare both X- and Y-type films of different thicknesses and characterize them using optical second-harmonic generation and atomic-force microscopy (AFM). We find that the overall nonlinear properties of the samples are essentially independent of the film thickness and the deposition type and arise from susceptibility tensor components associated with chirality. Both X- and Y-type films can be described by D2 symmetry, which is a higher symmetry than the previously assumed C2 of LB films of THBQ and a similar helicenebisquinone (HBQ). However, the two types of films are shown to differ significantly with respect to the orientation of the in-plane axis. For Y type, the axis follows the direction of vertical sample deposition, but for X type, the direction of the axis varies randomly and significantly between different samples. The Y-type samples are therefore more ordered than the X-type samples. This was confirmed by AFM measurements in which the Y type exhibits uniform ordering into columnar structures. Similar structures in X type, on the other hand, are shorter and more randomly oriented, like those earlier observed for racemic samples of HBQ [Verbiest, T., et al. Science 1998, 282, 913]. The common nonlinear properties and different high-level ordering observed here for two different types of nonracemic samples reinforces that the nonlinearity of THBQ (and probably HBQ, as well) originates from the low-level columnar aggregation of the molecules with the higher-level structures playing a lesser role. In addition, within the columns, the molecules likely assume fairly random azimuthal orientations so that the columns themselves exhibit approximate Dinfinity symmetry.     

Photoabsorption spectra of small fullerenes and Si-heterofullerenes

We study the spectral properties of two kinds of derivatives of the carbon fullerene C(60), small fullerenes and Si-heterofullerenes, by ab initio calculations. The principal method of study is the time-dependent density-functional theory in its full time-propagation form. C(20), C(28), C(32), C(36), and C(50), the most stable small fullerenes in the range of C(20)-C(50), are found to have characteristic features in their optical absorption spectra, originating from the geometry of the molecules in question. The comparison of measured and calculated absorption spectra is found to be a useful tool in differentiating between different, almost isoenergetic ground state structure candidates of small fullerenes. Substitutionally doped fullerenes are of interest due to their enhanced chemical reactivity. It is suggested that the doping degree can be obtained by studying the absorption spectra. For example, it is observed that the spectra gradually change when doping C(60) up to C(48)Si(12) so that absorption in the visible and near infrared regions increases.     

Iron and Cobalt Complexes of a Series of Tridentate P,N, P Ligands — Synthesis,Characterization, and Application in Ethene Polymerization Reactions

A series of tridentate P, N, P ligands comprising a central pyridine unit and two pendent diarylphosphane moieties (2, 6‐bis(CH₂PAr₂)pyridine; Ar = phenyl ( 1 ), 2‐methylphenyl ( 2 ), 2, 4, 6‐trimethylphenyl ( 3 )) as well as the corresponding iron ( 1‐FeCl₂ , 2‐FeCl₂ , 3‐FeCl₂ ) and cobalt ( 1‐CoCl₂ , 2‐CoCl₂ , 3‐CoCl₂ ) complexes were synthesized and characterized. An X‐ray structure analysis of 2‐CoCl₂ and 3‐CoCl₂ exhibited a trigonal‐bipyramidal coordination geometry at the metal center, the two chlorine atoms and the nitrogen occupying the equatorial and the phosphane units the apical positions. IR analysis indicated, that in all complexes the pyridine unit is coordinated to the metal center. The cobalt compounds were applied as catalyst precursors for the polymerization of ethene after activation with MAO.     

Poly(methyl vinyl ether‐alt‐maleic acid)‐Functionalized Porous Silicon Nanoparticles for Enhanced Stability and Cellular Internalization

Currently, developing a stable nanocarrier with high cellular internalization and low toxicity is a key bottleneck in nanomedicine. Here, we have developed a successful method to covalently conjugate poly(methyl vinyl ether‐co‐maleic acid) (PMVE‐MA) copolymer on the surface of (3‐aminopropyl)triethoxysilane‐functionalized thermally carbonized porous silicon nanoparticles (APSTCPSi NPs), forming a surface negatively charged nanovehicle with unique properties. This polymer conjugated NPs could modify surface smoothness, charge, and hydrophilicity of the developed NPs, leading to considerable improvement in the colloidal and plasma stabilities via enhanced suspensibility and charge repulsion. Furthermore, despite the surface negative charge of the polymer‐conjugated NPs, the cellular internalization was increased in both MDA‐MB‐231 and MCF‐7 breast cancer cells. These results provide a proof‐of‐concept evidence that such polymer‐based PSi nanocomposite can be extensively used as a promising candidate for intracellular drug delivery.

     

MR imaging of fatigue stress injuries to bones: intra- and interobserver agreement

The aim of this study was to determine the validity of MR imaging (MRI) in the assessment of stress-related injuries to bone.MR images of 50 military recruits (8 females and 42 males; 18-27 (mean 20) years of age) were retrospectively evaluated twice for stress injuries to bone by 4 radiologists (2 musculoskeletal radiologists, 2 radiology residents). Coronal T1-weighed (T1W) and STIR images, as well as axial and coronal T2-weighted (T2W) fat-suppressed images were taken using a 1.0T scanner. Rates for sensitivity, specificity, and accuracy of MRI of the stress-related injuries were calculated. Intraobserver and interobserver agreement was determined with kappa statistics.Rates for MRI sensitivity were 27-96%, for specificity 65-100%, and for diagnostic accuracy 58-97%. Lowest rates were seen when reading T1W images and highest when reading STIR images. Readers showed moderate to excellent intraobserver agreement (kappa 0.75-0.95). Interobserver agreement was fair to excellent (kappa 0.41-0.91), and the lowest values were seen in the interpretation of T1W images. Normal findings could be differentiated from various grades of stress injury to bone.MRI is a valid means of revealing the presence of stress injuries to bone and their staging. Observer agreement is good to excellent when using T2W images and STIR images, while T1W images are of lesser value.     

Has a fermiophobic Higgs boson been detected at the LHC?

We show that, in the present inclusive searches for the Higgs boson at the LHC, a fermiophobic Higgs mimics the standard-model-like Higgs if its mass is around 125 GeV. For that mass the order-of-magnitude reduction of fermiophobic Higgs production cross sections is compensated by a corresponding increase in the Higgs branching fraction into γγ  , while the WW^?$W{W}^{?}$, ZZ^?$Z{Z}^{?}$, Zγ signal yields are predicted to be somewhat smaller. The excess seen in the ATLAS and CMS fermiophobic Higgs boson searches in the γγ channel, including the exclusive vector-boson-fusion analysis, could point to a fermiophobic rather than a standard-model Higgs boson. If the Higgs boson will turn out to be fermiophobic, many of our present ideas of new physics should be revised.