bluuebunny/crossref_metadata_2025_split huggingface dataset:
The psychological impact of mammographic screening. A systematic review
Authors: Brett J. , Bankhead C. , Henderson B. , Watson E. , Austoker J. 
Published: March 2005

AbstractConcerns have been raised regarding the possible negative psychological impact of the cancer screening programmes offered in the UK. This review aims to assess the extent of and factors associated with the adverse psychological consequences of mammographic screening. Fifty‐four papers from 13 countries were identified, a majority of which were published after 1990, coinciding more or less with the onset of routine mammographic screening. The results report that mammographic screening does not appear to create anxiety in women who are given a clear result after a mammogram and are subsequently placed on routine recall. However, women who have further investigations following their routine mammogram experience significant anxiety in the short term, and possibly in the long term. The nature and extent of the further investigation that women are exposed to during mammographic screening determines the intensity of the psychological impact. Factors associated with the adverse psychological impact of mammographic screening included: social demographic factors of younger age, lower education, living in urban areas, manual occupation, and one or no children; cancer screening factors of dissatisfaction with information and communication during screening process, waiting time between recall letter and recall appointment, pain experienced during the mammographic screening procedures, and previous false positive result; and cancer worry factors including fear of cancer and greater perceived risk of breast cancer. Difficulties in measuring the psychological impact of screening are discussed, and methods of alleviating the negative psychological outcomes are suggested. Copyright © 2005 John Wiley & Sons, Ltd.
Magnetically soft and high‐saturation‐magnetization FeCo films fabricated by co‐sputtering
Authors: Fu Yu , Cheng Xiaofeng , Yang Zheng 
Published: March 2005

AbstractMagnetically soft FeCo films with high saturation magnetization were successfully obtained by co‐sputtering Fe65Co35films onto a very thin Co93Fe7seed layer. The coercivity of single FeCo films on the substrate was markedly reduced by increasing the deposition temperature and appropriately selecting the composition. The effect of composition and thickness of a high‐Co‐concentration Co100–yFey(0 ≤y≤ 11) seed layer on the magnetic properties and structure of Co100–yFey(0–10 nm)/Fe65Co35(100 nm) films was studied. It was observed that the texture of Fe65Co35films changed from (110) to (200) on using a Co100–yFeyseed layer. The appearance of (200) texture and film growth with less lattice strain improved the soft magnetic properties of FeCo films. A double‐layer Co93Fe7(1 nm)/Fe65Co35(100 nm) film was obtained with saturation magnetizationμ0Ms= 2.4 T, easy‐axis coercivityHce= 1 kA/m, hard‐axis coercivityHch= 0.2 kA/m and anisotropy fieldHK= 6.4 kA/m. (© 2005 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Shot noise as a probe of electron transport via localised states in sub‐micrometer barriers
Authors: Savchenko A. K. , Safonov S. S. , Roshko S. H. , Bagrets D. A. , Jouravlev O. N. , Nazarov Y. V. , Linfield E. H. , Ritchie D. A. 
Published: March 2005

AbstractWe show that shot noise is a useful tool in studies of electron transport in hopping and resonant tunnelling between localised states. In resonant tunnelling through a single impurity we observe an enhancement of shot noise caused by Coulomb interaction between two resonant channels. In hopping along chains of localised states, shot noise is shown to be sensitive to the distribution of the barriers between the states and the Coulomb interaction between hopping electrons. (© 2005 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Spin polarization and annihilation for radicals and diradicals
Authors: Davidson Ernest R. , Clark Aurora E. 
Published: March 2005

AbstractThe extent of spin polarization in unrestricted Hartree–Fock and density functional B3LYP calculations has been determined for a few monoradicals as well as the corresponding diradicals containing these monoradicals as functional groups. Simple relations are found that explain the very high value for the average spin after projecting out the triplet component from a broken‐spin calculation on the singlet state. The implications of these results for estimating the energy of the low‐spin diradical by spin projection or by the Heisenberg Hamiltonian are discussed. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
On the original proof by reductio ad absurdum of the Hohenberg–Kohn theorem for many‐electron Coulomb systems
Authors: Kryachko Eugene S. 
Published: March 2005

AbstractIt is shown that, for isolated many‐electron Coulomb systems with Coulombic external potentials, the usual reductio ad absurdum proof of the Hohenberg–Kohn theorem is unsatisfactory since the to‐be‐refuted assumption made about the one‐electron densities and the assumption about the external potentials are not compatible with the Kato cusp condition. The theorem is, however, provable by more sophisticated means, and it is shown here that the Kato cusp condition actually leads to a satisfactory proof. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
Dynamical symmetry analysis of ionization and harmonic generation of atoms in bichromatic laser pulses
Authors: Fleischer Avner , Gupta Ashish Kumar , Moiseyev Nimrod 
Published: March 2005

AbstractRecently the effect of the relative phase ϕ in a high‐intensity (∼1014 W/cm2) two‐color (bichromatic) CW laser with frequencies ω and 2ω on the high‐order harmonic generation (HHG) was studied within the framework of the non‐Hermitian quantum mechanics (NHQM) [Phys Rev A 2004, 69, 043404/1]. Here we emphasize the study of symmetries in bichromatic HHG spectra within the framework of the conventional Hermitian QM, and in particular by taking the duration of the laser pulse into consideration (an effect that has not been included in the non‐Hermitian studies due to the time asymmetry problem in NHQM). The phase dependence of HHG and intense‐field ionization probability in a 1D Xe atom with symmetric field‐free potential and symmetric initial wave function were studied numerically and analytically. From simulations based on a single‐particle response it can be seen that the HHG spectra is symmetric with respect to inversion in the relative phase between the two colors ϕ only if ionization is forbidden in the system and the laser pulse is an adiabatic one. The HHG spectra is symmetric with respect to a π‐shift in ϕ whenever the laser pulse is an adiabatic one, either for bound or open (ionized) systems. The ionization probability is symmetric both to inversion or π‐shift in ϕ; the component probabilities (right‐ and left‐ionization probabilities) have the same ϕ‐dependence, up to a shift of π. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
Large first hyperpolarizabilities of substituted aniline oligomers
Authors: de A. Machado A. E. , da Gama A. A. S. 
Published: March 2005

AbstractSubstituted and nonsubstituted aniline oligomers were theoretically investigated. Aniline oligomers with a dicyanoethenyl acceptor group attached at a terminal site of each known structure (emeraldine, pernigraniline, and leucoemeraldine forms), contributing to obtain large first hyperpolarizabilities. The effect of oligomer size on the nonlinear responses was also investigated by considering oligomers with different chain length (tetramers and octamers). The magnitudes of β calculated for the functionalized and nonfunctionalized octamers were larger than for the tetramers and their substituted oligomers. The substituted pernigraniline octamer presented the largest β value among the investigated aniline oligomers. The results of the AM1/TDHF calculations suggest that these aniline‐based materials can be good candidates for second‐order nonlinear optical materials. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
Generalized formulation of quantum and classical crystallography using Green's functions
Authors: Karabiyik Hasan , Aygün Muhi̇tti̇n 
Published: March 2005

AbstractQuantum crystallography is a methodology by which structural information about a crystalline material obtained from X‐ray crystallography is combined with quantum mechanical methods. The objective is to enhance the data obtained from the X‐ray diffraction experiment, which are related to the atomic structure of the crystal, and to predict the properties and efficacy of those chemical compounds from which the crystals are derived. One approach in quantum crystallography is to use a projector matrix with a normalized trace. In this approach, quantum mechanical parameters in the projector matrix are fit into crystallographic data. During this fitting, the properties of the projector matrix called idempotency and normalization are used. Throughout this implementation procedure, Clinton's iteration scheme has been used in addition to the least‐squares technique. The purpose of the present study is to generalize Clinton's iterative equations in quantum crystallography by means of single‐particle Green's functions with the aid of the equal atoms model in the theory of direct methods. Convergency characters of the novel iterative equations are discussed by the steepest descent procedure. Furthermore, whether the calculations are valid in nonorthogonal bases was also examined. The iteration schemes widely used in quantum crystallography have been generalized but, in addition, the generalized expressions relating to the phase determination procedure and the probabilities of the sign relations between the structure factors are obtained and discussed comprehensively. The phrase order of crystallography has been put forward as a new concept. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
Atomic decomposition of identity: General formalism for population analysis and energy decomposition
Authors: Mayer I. , Hamza A. 
Published: March 2005

AbstractThe concept of “atomic resolution of identity” has been introduced, leading to a very simple general formalism for generating different decomposition schemes of molecular quantities. Thus, different population analysis and energy partitioning schemes can be treated as special cases of a common framework. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
HREELS, TPD and ESD study of electron‐induced decomposition of trimethylamine on Si(100) at 100 K
Authors: Lozano J. , Early D. , Craig J. H. , Wang P. W. , Kimberlin K. R. 
Published: March 2005

AbstractThe effects of 600 eV electron irradiation on adsorbed layers of trimethylamine (TMA) on a Si(100) surface at 100 K were studied using high‐resolution electron energy loss spectroscopy (HREELS), temperature programmed desorption (TPD), electron‐stimulated desorption (ESD) and x‐ray photoelectron spectroscopy (XPS). Experiments were performed at monolayer and higher coverages. The ESD results obtained on physisorbed TMA indicate electron‐induced decomposition of the parent molecule. The HREELS data also show cleavage of NC bonds on the chemisorbed layer of TMA and deposition of CHx groups on the surface, which is also supported by a dramatic enhancement of hydrogen desorption at 960 K following electron irradiation. This multiple‐step process is supported by ESD signal decay curves obtained during electron irradiation. Following electron irradiation of TMA/Si(100), the intensity of low temperature TPD peaks corresponding to TMA fragments decreases; however, the intensity of the mass 2 peak increases dramatically compared with the un‐irradiated surface. This is indicative of electron‐induced associative desorption of molecular hydrogen. The HREELS data from monolayer coverage of TMA on Si(100) after electron irradiation suggests the removal of CHx groups from the adsorbate layer and deposition of carbon and hydrogen on the surface. In the absence of physisorbed layers there is no indication of electron‐induced desorption of TMA fragments. Copyright © 2005 John Wiley & Sons, Ltd.
Nitrogen analysis using energetic ion beams
Authors: Jiang W. , Shutthanandan V. , Thevuthasan S. , Wang C. M. , Weber W. J. 
Published: March 2005

AbstractAs a special case of nuclear reaction analysis (NRA), nuclear elastic scattering analysis (or non‐Rutherford scattering analysis) is one of the important methods in ion beam analysis and is the preferred technique to analyze light elements in a heavy matrix. Compared with nuclear reaction, nuclear scattering usually has cross‐sections several orders of magnitude larger, which allows quantitative analysis of light elements in a quicker and more convenient manner. Similar to NRA, this method complements the analysis of widely used Rutherford backscattering spectrometry. In this study, the scattering cross‐sections for14N(p,p)14N and14N(α,α)14N at a laboratory angle of 150° are measured over energy regions from 2.480 to 3.774 MeV using an amorphous film of Si3N4on Si wafer. Examples for the analysis of lattice disorder on the nitrogen sublattice in Au2+‐irradiated GaN single crystals will be demonstrated. Copyright © 2005 John Wiley & Sons, Ltd.
Synthesis and characterization of silica sphere‐packing mesoporous materials
Authors: Roque‐Malherbe Rolando , Marquez Francisco 
Published: March 2005

AbstractIn the present study, using the Stobe–Fink–Bohn (SFB) method we synthesize and characterize silica sphere‐packing mesoporous materials. The SFB procedure was modified slightly to obtain materials with high specific surface area. The structure and essential features of the materials obtained were studied with the help of scanning electron microscopy and the analysis of isotherms of physical adsorption of N2 at 77 K. Some of the sphere‐packing materials obtained possess a relatively large specific surface area and the presence of a mesoporous structure within the silica spheres has been demonstrated; consequently, these materials could be used as adsorbents, catalysts and other high‐surface‐area and porosity‐related applications. Copyright © 2005 John Wiley & Sons, Ltd.
XPS and Raman spectroscopic characterization of LiMn2O4 spinels
Authors: Ramana C. V. , Massot M. , Julien C. M. 
Published: March 2005

AbstractSurface analysis of lithium manganese oxides synthesized by the melt–impregnation method has been made by x‐ray photoelectron spectroscopy. These results revealed the change in the average oxidation state of Mn cations upon lithium substitution in Li1+δMn2−δO4 spinels. Studies of the local structure characterized by Raman scattering show the MnO bonding evolution as a function of the replacement of manganese cations. Modification in the trigonal distortion of MnO6 octahedra is evidenced by insertion of lithium ions into the octahedral holes of the [B2]O4 spinel framework. Copyright © 2005 John Wiley & Sons, Ltd.
Erosion rate variations during XPS sputter depth profiling of nanoporous films
Authors: Gaspar Daniel J. , Engelhard Mark H. , Henry Matthew C. , Baer Donald R. 
Published: March 2005

AbstractSputter depth profiling is commonly used to obtain valuable information regarding the three dimensional distribution of elements within a sample, and is one of the best ways to measure the composition of a buried interface or the uniformity of a thin film. X‐ray photoelectron spectroscopy (XPS) is one of the analysis tools often used in conjunction with ion beam erosion to obtain sputter depth profiles. However, to obtain accurate depth information it is often necessary to understand better the sputtering process for a specific materials system. Artifacts such as differential sputtering, varying sputter rates and ion beam‐induced chemistry are well known. Here, however, we present evidence from experiments on a porous thin film deposited on an Si wafer that relatively small chemical and/or structural changes in a nanoporous film can affect the rate of erosion measured during sputter depth profiling. Reproducible variations in sputter rate are found with chemical modification leading to compositional changes of the nanoporous thin film. The origin of the sputter rate changes is discussed with the aid of results obtained using Fourier transform infrared spectroscopy, profilometry, nuclear reaction analysis, electron microscopy and XPS‐based depth profiling. Copyright © 2005 John Wiley & Sons, Ltd.
The impact of beta‐adrenoreceptor gene polymorphisms on survival in patients with congestive heart failure*
Authors: de Groote Pascal , Lamblin Nicolas , Helbecque Nicole , Mouquet Frédéric , Mc Fadden Eugène , Hermant Xavier , Amouyel Philippe , Dallongeville Jean , Bauters Christophe 
Published: March 2005

AbstractObjective:Discordant results have been published regarding a possible association between beta‐adrenoreceptor (βAR) gene polymorphisms and survival in patients with congestive heart failure (CHF). The aim of the study was to analyze the impact of five functional βAR gene polymorphisms in patients with stable CHF.Methods:We prospectively studied 444 consecutive patients with CHF related to left ventricular systolic dysfunction. The β1ARSer49Gly, β1ARGly389Arg, β2AR Arg16Gly, β2AR Gln27Glu and β2AR Thr164Ile polymorphisms were determined. Patients underwent echocardiography, radionuclide angiography and a cardiopulmonary exercise test.Results:Mean age was 56.6±11.9 years old, left ventricular ejection fraction (LVEF) was 32±12%, and peak VO2 was 15.5±4.9 ml/min/kg or 63±18% of maximal predicted VO2. Most of the patients (95%) were receiving angiotensin converting enzyme inhibitors and 91% β‐blockers. There was no statistically significant differences between baseline characteristics among β1AR and β2AR genotypes. During a median follow‐up period of 1232 days, there were 110 cardiac‐related deaths and five urgent transplantations. Independent predictors of survival were percent (%) of maximal predicted VO2 (p<0.0001), age (p<0.0001), LVEF (p=0.004), creatinine (p=0.02) and atrial fibrillation (p=0.04). No βAR polymorphisms were associated with survival. However, patients with the combined β2ARGly16Gly/β2ARGln27Gln genotype, who express receptors highly sensitive to down‐regulation, had a significantly lower survival rate than patients with other genotypes but only in univariate analysis.Conclusions:In this prospective study, we found no association between five functional βAR polymorphisms and survival in patients with stable CHF. However, we demonstrated, only in univariate analysis, a possible association between the combined β2ARGly16Gly/β2ARGln27Gln genotype and survival.
Effects of nebivolol on left ventricular function in elderly patients with chronic heart failure: results of the ENECA study
Authors: Edes Istvan , Gasior Zbigniew , Wita Krystian 
Published: March 2005

AimTo examine the effect of the beta1‐selective beta‐blocker nebivolol, administered as add‐on therapy, on left ventricular function in 260 elderly patients (>65 years) with chronic heart failure (CHF).MethodsThe principal inclusion criteria were (1) NYHA class II–IV CHF and (2) a left ventricular ejection fraction (LVEF) ≤35%. The primary end‐point was the change in LVEF in response to nebivolol treatment for 8 months.ResultsBaseline LVEF values in the two groups were as follows: nebivolol 25.41±7.09% and control 26.41±5.55%. LVEF improved significantly (p=0.027) more in the nebivolol group (6.51±9.15%) than in the control group (3.97±9.20%), the relative improvement (percentage increase in the initial value) being 35.70±57.62% in the nebivolol group and 19.19±40.96% (p=0.008) in the placebo group. Examination of different subgroups did not reveal any heterogeneity in the effects of nebivolol treatment vs. placebo treatment. There were no significant differences between the nebivolol and placebo groups as concerns the changes in clinical status, quality of life, or safety parameters.ConclusionThe findings of the ENECA study confirmed that nebivolol significantly improved cardiac function and proved to be safe and well tolerated in elderly patients with signs of CHF and an impaired LVEF.
Ultrastructural zonal heterogeneity of hepatocytes and mitochondria within the hepatic acinus during liver regeneration after partial hepatectomy
Authors: Ferri Domenico , Moro Loredana , Mastrodonato Maria , Capuano Ferdinando , Marra Ersilia , Liquori Giuseppa Esterina , Greco Margherita 
Published: March 2005

Background information. Partial hepatectomy (70%) induces cell proliferation until the original mass of the liver is restored. In the first 24 h after partial hepatectomy, drastic changes in the metabolism of the remaining liver have been shown to occur. To evaluate changes in hepatocyte ultrastructure within the hepatic acinus during the liver regenerative process, we investigated, by light and electron microscopy observations on specimens taken 0 h, 24 h and 96 h after partial hepatectomy, the hepatocyte structure and ultrastructure in the periportal and pericentral area of the hepatic acinus, with a particular emphasis on mitochondria ultrastructure. Moreover, some biochemical events that could affect the mitochondria ultrastructure and function were investigated.Results. We found that, 24 h after partial hepatectomy, mitochondria with altered ultrastructure were preferentially localized in the periportal area. Periportal hepatocytes showed also an increase in the number of peroxisomes, free ribosomes, lysosomes and autophagosomes. Altered mitochondria showed swelling, an ultrastructural index of increased membrane permeability, a reduction in the number of cristae, and a rarefied, often vacuoled, matrix. Consistently, an increase in the mitochondrial oxidized/reduced glutathione ratio was found as well as calcium release from mitochondria in a manner inhibited by cyclosporin A. Interestingly, light and electron microscopy analysis showed that the hepatocytes in the periportal area were the cells with the major structural attributes to proliferate. At 96 h after partial hepatectomy, the preferential zonation of altered mitochondria was lost and the normal mitochondrial membrane permeability properties were restored.Conclusions. We suggest that 24 h after partial hepatectomy, a preferential zonation of altered mitochondria in the periportal hepatocytes could be involved in the changes of metabolic and functional heterogeneity of the hepatocytes within the hepatic acinus during the regenerative process.