bluuebunny/crossref_metadata_2025_split huggingface dataset:
Investigations on spectroscopic properties of ND(X3Σ−) radical using coupled‐cluster theory in combination with the correlation‐consistent quintuple basis set augmented with diffuse functions
Authors: Shi De‐Heng , Yu Ben‐Hai , Zhang Jin‐Ping , Liu Yu‐Fang , Zhu Zheng‐He 
Published: August 2008

AbstractThe coupled‐cluster singles‐doubles‐approximate‐triples [CCSD(T)] theory in combination with the correlation‐consistent quintuple basis set augmented with diffuse functions (aug‐cc‐pV5Z) is used to investigate the spectroscopic properties of the ND(X3Σ−) radical. The adiabatic potential energy curve is calculated over the internuclear separation range from 0.06 to 2.47 nm and fitted to the analytic Murrell–Sorbie function, which is used to determine the spectroscopic parameters, ωeχe, αe, and Be. The present De, Re, ωe, ωeχe, αe, and Be values are of 3.57357 eV, 0.10367 nm, 2403.166 cm−1, 42.888 cm−1, 0.25344 cm−1, and 8.90867 cm−1, respectively, which are in excellent agreement with the available measurements. With the potential obtained at the UCCSD(T)/aug‐cc‐pV5Z level of theory, a total of 21 vibrational states is predicted when J = 0 by numerically solving the radial Schrödinger equation of nuclear motion. The complete vibrational levels, classical turning points, inertial rotation, and centrifugal distortion constants are reproduced for the ND(X3Σ−) radical when J = 0 for the first time, which are in good accord with the available RKR data. © 2008 Wiley Periodicals, Inc. Int J Quantum Chem, 2009
Characterization of optical spectra of interacting systems: Application to oxide‐supported metal clusters
Authors: Huix‐Rotllant Miquel , Deka Ajanta , Matveev Alexei V. , Bosko Sergey I. , Moskaleva Lyudmila V. , Rösch Notker 
Published: August 2008

AbstractWe present a general strategy for interpreting optical spectra of interacting systems on the basis of linear‐response time‐dependent density functional theory (TDDFT) calculations. For this purpose, we combined a natural transition orbitals (NTO) analysis with a fragment molecular orbital (FMO) analysis. The NTO transformation allows one to identify leading contributions of particle‐hole excitations in the spectral bands, whereas the FMO analysis characterizes each pair in terms of (leading) contributions of the corresponding fragments. We applied this procedure to assign and characterize optical transitions of coinage metal dimers M2 (M = Cu, Ag, Au) adsorbed at regular oxygen sites of MgO(001) as well as at oxygen vacancies, Fs and F. The TDDFT calculations were carried out at the generalized‐gradient level on structures that had been obtained with cluster models embedded in an elastic polarizable environment. The combined NTO and FMO results allowed us to analyze the spectra both qualitatively and quantitatively. The qualitative results agree very well with a previous assignment carried out by our group (Bosko et al., J Phys Chem A, 2007, 111, 6870), whereas the present approach yields a straightforward and transparent quantitative characterization of the main spectral bands. © 2008 Wiley Periodicals, Inc. Int J Quantum Chem, 2008
Mental health and its relationship to life events and family socio‐economic status among Chinese medical students in Guangxi Zhuang Autonomous Region
Authors: Ma Yingjiao , Goto Aya , Yasumura Seiji , Wu Qijun , Xu Jianguo 
Published: August 2008

AbstractThe aim of the study was to investigate the mental health status of Chinese medical students in response to dramatic changes in their society and to assess its relationship to life events and family socio‐economic status (SES). This was a cross‐sectional study of 568 second year medical students in Guangxi Zhuang Autonomous Region. They completed the Symptom Checklist‐90‐Revised (SCL‐90‐R) to assess their mental health status, Adolescent Self‐Rating Life Events Check List (ASLEC), family SES items and parental divorce. A total of 552 students (262 males and 290 females) completed the questionnaires. The means of six SCL‐90‐R scales were significantly lower than the previously reported data on Chinese university students. Scores on four subscales were significantly higher for male compared with female students. Multivariate regression analysis indicated that the occupation and education of the fathers of female students were significantly associated with the summary index of SCL‐90‐R (General Symptomatic Index or GSI) and also with ASLEC scores. For male students, only the relationship with ASLEC scores was statistically significant. Seven of 27 life events measured by the ASLEC were significantly associated with GSI for males, and nine events were associated with GSI for females. The events were related to family financial status, academic stress and interpersonal relationships for both genders. In conclusion, our data underscore the importance of considering family history in addition to academic stressors, interpersonal relationships and gender differences, in attempts to secure the psychological well‐being of Chinese medical students. Copyright © 2008 John Wiley & Sons, Ltd.
Characterization of aerosol particles at an industrial background site in Nairobi, Kenya
Authors: Gatari Michael J. , Boman Johan , Wagner Annemarie 
Published: August 2008

AbstractAir pollutants from industrial and urban sources contain harmful elements and chemical compounds. This work presents a study on background industrial and urban aerosol particles in the city of Nairobi. Its main focus was the understanding of elemental, black carbon (BC) and particulate mass (PM) concentrations in the perspective of identifying their sources. Aerosol particles were collected on Teflon filters in two size fractions, a fine fraction of particles having an aerodynamic diameter (da) < 2.5 µm and a coarse fraction with particles between 2.5 and 10 µm. A photometer and an energy dispersive x‐ray fluorescence spectrometer were used to analyse BC and trace elements (Si, S, Cl, K, Ca, Ti, V, Mn, Fe, Ni, Cu, Zn, Br, Rb, Sr and Pb), respectively. The sampled mass of the particulate matter was determined gravimetrically. The measured concentrations of the analysable species were dominated by BC, K and S in the fine fraction and Si, Ca and Fe in the coarse fraction. Principal component analysis and correlation evaluation of the fine fraction concentrations implicated industrial, vehicular and biomass‐burning emissions as the main sources of the measured elements. The average Pb concentration of 105 ng m−3 in the PM10 samples at the background industrial site was approximately 20% of the air quality guideline (AQG) recommended by World Health Organisation (WHO). Most of the measured elements exhibited higher concentrations than those measured in Francistown in Botswana, Dar es Salaam in Tanzania and Edinburgh in United Kingdom but less than those measured in Barcelona in Spain and from previous studies in Nairobi. Copyright © 2008 John Wiley & Sons, Ltd.
Elemental depth profile of faux bamboo paint in Forbidden City studied by synchrotron radiation confocal µ‐XRF
Authors: Wei Xiangjun , Lei Yong , Sun Tianxi , Lin Xiaoyan , Xu Qing , Chen Dongliang , Zou Yang , Jiang Zheng , Huang Yuying , Yu Xiaohan , Ding Xunliang , Xu Hongjie 
Published: August 2008

AbstractA three‐dimensional (3D) analysis of micro x‐ray fluorescence (XRF), namely confocal µ‐XRF, has been constructed at 4W1B beamline of the Beijing synchrotron radiation facility (BSRF). A KB mirror is applied to focus the incident beam and a polycapillary half‐lens in front of the Si(Li) detector is used to limit the visual field of the detector. The faux bamboo paint in Emperor Qianlong's Lodge of Retirement in Forbidden City was analyzed nondestructively by this method. A stratified structure in the paint is disclosed and the results show that the painting was probably restored once in the past, following the same painting technique as originally used. Copyright © 2008 John Wiley & Sons, Ltd.
Composition determination for complex and transmitting samples in x‐ray quantitative analysis
Authors: Vasquez R. P. 
Published: August 2008

AbstractIn this work, quantitative analysis of x‐ray fluorescence measurements of transmitting samples with complex chemical composition is considered. A method is presented for analytical solution of sample composition including matrix effects, independent of sample thickness and requiring no standards. The method uses fundamental parameters and measured fluorescence signal intensities, and is applicable to transmission geometry measurements for which standard analyses are not applicable. Limitations of the analysis presented here are discussed. Copyright © 2008 John Wiley & Sons, Ltd.
Bead‐releasing agents used in the preparation of solid samples as beads for WD‐XRF measurement
Authors: Gazulla M. F. , Barba A. , Orduña M. , Rodrigo M. 
Published: August 2008

AbstractThis paper carries the results of an evaluation of various materials, which may be used to aid in the release of a fused bead from its mould during a wavelength‐dispersive x‐ray fluorescence (WD‐XRF) measurement.The following bead‐releasing agents were studied: NaI, LiBr, NH4I, and LiI. Each was incorporated in different quantities, as a solid and/or in an aqueous solution, together with a flux, into samples of ceramic raw materials. Release agent interference in the WD‐XRF measurement was analysed, and the optimum quantity of release agent needed to obtain suitable beads for WD‐XRF measurement was determined.The best results were obtained for LiI, which yielded reproducible beads without significant interference in the WD‐XRF measurement when a relatively small quantity (0.11 LiI g/bead) was used. Copyright © 2008 John Wiley & Sons, Ltd.
The Relevance of Rice
Authors: Zeigler Robert S. , Barclay Adam 
Published: August 2008

Abstract
Research into rice—the world’s most important food crop—is crucial for the development of technologies that will increase productivity for farmers who rely on rice for their livelihood. This is particularly the case throughout the developing countries of Asia and is also true for much of Latin America and, increasingly, Africa. The benefits of such increased productivity will flow through to rice-growing countries’ landless rural and urban poor, all of whom (1) are net consumers of rice and (2) spend a large proportion of their income on rice. Recent steep rises in the price of rice have amplified the need for investment in high-quality research targeted toward both the intensive irrigated rice-based systems (in which 75% of the world’s rice is grown and that must provide the rice for rapidly increasing urban populations) and the rainfed rice-based systems (many of which are characterized by unfavorable environments and extreme poverty).
Rapid and Differential Proliferation of the Ty3-Gypsy LTR Retrotransposon Atlantys in the Genus Oryza
Authors: Zuccolo Andrea , Ammiraju Jetty S. S. , Kim HyeRan , Sanyal Abhijit , Jackson Scott , Wing Rod A. 
Published: August 2008

Abstract
Here, we present the results of a comprehensive study of the distribution, evolution, heterogeneity, and phylogenetic relationships of the Ty3-Gypsy Atlantys long terminal repeat retrotransposable element family in Oryza. Atlantys element-related sequences make up a significant fraction of the genomes of species from the Officinalis complex as well as the Oryza ridleyi and O. granulata genomes. The proliferation of Atlantys elements, in many cases, took place after respective speciation events occurred. Most of the retrotranspositional events occurred within the last three million years. Atlantys is an ancient and ubiquitous component of the genus Oryza and has made significant contributions to genome size variation across the genus. Its structure is unusual when compared to other Ty3-Gypsy elements and its proliferation in the different Oryza species has been rapid and differential.
A note on constant geodesic curvature curves on surfaces
Authors: Sun Taoniu 
Published: August 2008

In this paper we are concerned with the structure of curves on surfaces whose geodesic curvature is a large constant. We first discuss the relation between closed curves with large constant geodesic curvature and the critical points of Gauss curvature. Then, we consider the case where a curve with large constant geodesic curvature is immersed in a domain which does not contain any critical point of the Gauss curvature.

Résumé
Dans cet article nous nous intéressons au comportement des courbes sur une surface, dont la courbure géodésique est une constante très grande. Dans un premier temps nous nous intéressons aux relations entre les courbes fermées dont la courbure géodésique est grande et les points critiques de la courbure de Gauss. Ensuite, nous nous intéressons au comportement asymptotique des courbes immergées dans un domaine de la surface qui ne contient aucun point critique de la courbure de Gauss.
Melatonin and roentgen irradiation‐induced acute radiation enteritis in Albino rats: An animal model
Authors: Hussein Mahmoud R. , Abu‐Dief Eman E. , Kamel Esam , El‐Ghait Amal T. Abou , Abdulwahed Saad Rezk , Ahmad Mohamed H. 
Published: August 2008

AbstractBackground: Roentgen irradiation can affect normal cells, especially the rapidly growing ones such as the mucosal epithelial cells of the small intestine. The small intestine is the most radiosensitive gastrointestinal organ and patients receiving radiotherapy directed to the abdomen or pelvis may develop radiation enteritis. Although roentgen rays are widely used for both imaging and therapeutic purposes, our knowledge about the morphological changes associated with radiation enteritis is lacking.Hypothesis: This study tries to tests the hypothesis that “the intake of melatonin can minimize the morphological features of cell damage associated with radiation enteritis”.Objectives and methods: We performed this investigation to test our hypothesis and to examine the possible radioprotective effects of melatonin in acute radiation enteritis. To achieve these goals, an animal model consisting of 60 Albino rats was established. The animals were divided into five groups: Group 1, non‐irradiated; Group 2, X‐ray irradiated (X‐ray irradiation, 8 Grays); Group 3, X‐ray irradiated‐pretreated with solvent (ethanol and phosphate buffered saline); Group 4, non‐irradiated‐group treated with melatonin, and Group 5, X‐ray irradiated‐pretreated with melatonin. The small intestines were evaluated for gross (macroscopic), histological, morphometric (light microscopy), and ultrastructural changes (transmission electron microscopy).Results: We found morphological variations among the non‐irradiated‐group, X‐ray irradiated‐group and X‐ray irradiated‐intestines of the animals pretreated with melatonin. The development of acute radiation enteritis in X‐ray irradiated‐group (Groups 2 and 3) was associated with symptoms of enteritis (diarrhea and abdominal distention) and histological features of mucosal injury (mucosal ulceration, necrosis of the epithelial cells). There was a significant reduction of the morphometric parameters (villous count, villous height, crypt height and villous/crypt height ratio). Moreover, the ultrastructural features of cell damage were evident including: apoptosis, lack of parallel arrangement of the microvilli, loss of the covering glycocalyx, desquamation of the microvilli, vacuolation of the apical parts of the cells, dilatation of the rough endoplasmic reticulum, and damage of the mitochondrial cristae. In the non‐irradiated‐group and in X‐ray irradiated‐intestines of the animals pretreated with melatonin (Group 5), these changes were absent and the intestinal mucosal structure was preserved.Conclusion: Administration of melatonin prior to irradiation can protect the intestine against X‐rays destructive effects, i.e. radiation enteritis. The clinical applications of these observations await further studies.
GENERATING SYSTEMS OF SUBGROUPS IN PSL(2,Γn)
Authors: Wang Xiantao , Yang Weiqi 
Published: August 2008

AbstractIt is proved in this paper that for any non-elementary subgroup $G$ of $\mathrm{PSL}(2,\sGa_n)$, which has no elliptic element, to be not strict, there is a minimal generating system of $G$ consisting of loxodromic elements, and that if $G$ is a non-elementary subgroup of $\mathrm{PSL}(2,\sGa_n)$ of which each loxodromic element is hyperbolic, then $G$ is conjugate to a subgroup of $\mathrm{PSL}(2,\mathbb{R})$.AMS 2000 Mathematics subject classification: Primary 30F40. Secondary 20H10
FAMILIES OF SURFACES IN ℝ4
Authors: Bruce J. W. , Tari F. 
Published: August 2008

AbstractWe study the geometry of surfaces in $\mathbb{R}^4$ associated to contact with hyperplanes. We list all possible transitions that occur on the parabolic and so-called $A_3$-set, and analyse the configurations of the asymptotic curves and their bifurcations in generic one-parameter families.AMS 2000 Mathematics subject classification: Primary 58C27. Secondary 53A05
ON THE EINSTEIN–KÄHLER METRIC AND THE HOLONOMY OF A LINE BUNDLE
Authors: Tsuboi Kenji 
Published: August 2008

AbstractIn this paper we give a relation between the Futaki invariant for a compact complex manifold $M$ and the holonomy of a determinant line bundle over a loop in the base space of any principal $G$-bundle, where $G$ is the identity component of the maximal compact subgroup of the complex Lie group consisting of all biholomorphic automorphisms of $M$. Using the property of the Futaki invariant, we show that the holonomy is an obstruction to the existence of the Einstein–Kähler metrics on $M$. Our main result is Theorem 2.1.AMS 2000 Mathematics subject classification: Primary 32Q20. Secondary 58J28; 58J52
ZETA FUNCTIONS OF GROUPS: EULER PRODUCTS AND SOLUBLE GROUPS
Authors: du Sautoy Marcus 
Published: August 2008

AbstractThe well-behaved Sylow theory for soluble groups is exploited to prove an Euler product for zeta functions counting certain subgroups in pro-soluble groups. This generalizes a result of Grunewald, Segal and Smith for nilpotent groups.AMS 2000 Mathematics subject classification: Primary 20F16; 11M99
SOFT C*-ALGEBRAS
Authors: Farsi Carla 
Published: August 2008

AbstractIn this paper we consider soft group and crossed product $C^*$-algebras. In particular we show that soft crossed product $C^*$-algebras are isomorphic to classical crossed product $C^*$-algebras. We also prove that large classes of soft $C^*$-algebras have stable rank equal to infinity.AMS 2000 Mathematics subject classification: Primary 46L80; 46L55
A NOTE ON INTEGERS OF THE FORM 2n+cp
Authors: Sun Zhi-Wei , Yang Si-Man 
Published: August 2008

AbstractIn 1950 Erdös proved that if $x\equiv2\,036\,812\ (\mo5\,592\,405)$ and $x\equiv3\ (\mo62)$, then $x$ is not of the form $2^n+p$, where $n$ is a non-negative integer and $p$ is a prime. In this note we present a theorem on integers of the form $2^n+cp$, in particular we completely determine all those integers $c$ relatively prime to $5\,592\,405$ such that the residue class $2\,036\,812(\mo5\,592\,405)$ contains integers of the form $2^n+cp$.AMS 2000 Mathematics subject classification: Primary 11P32. Secondary 11A07; 11B25; 11B75
THE SUBRING OF GROUP COHOMOLOGY CONSTRUCTED BY PERMUTATION REPRESENTATIONS
Authors: Green David J. , Leary Ian J. , Schuster Björn 
Published: August 2008

AbstractEach permutation representation of a finite group $G$ can be used to pull cohomology classes back from a symmetric group to $G$. We study the ring generated by all classes that arise in this fashion, describing its variety in terms of the subgroup structure of $G$.We also investigate the effect of restricting to special types of permutation representations, such as $\mathrm{GL}_n(\mathbb{F}_p)$ acting on flags of subspaces.AMS 2000 Mathematics subject classification: Primary 20J06
Rheology of the gel formed in the California Mastitis Test
Authors: Verbeek C Johan R , Xia Stephen S , Whyte David 
Published: August 2008

The California Mastitis Test has previously been adapted for use in an inline, cow-side sensor and relies on the fact that the viscosity of the gel formed during the test is proportional to the somatic cell concentration. In this paper, the use of capillary and rotational viscometry was compared in light of the expected rheology of the gel formed during the test. It was found that the gel is non-Newtonian, but the initial phase of viscosity increase was not due to shear dependence, but rather due to the gelation reaction. The maximum apparent viscosity of the gel was shear dependent while the time it took to reach the maximum was not truly shear dependent, but was rather dependent on the degree of mixing during gelation. This was confirmed by introducing a delay time prior to viscosity measurement, in both capillary and rotational viscometry. It was found that by mixing the reagent and infected milk, then delaying viscosity measurement for 30 s, shortened the time it took to reach maximum viscosity by more than 60 s. The maximum apparent viscosity, however, was unaffected. It was found that capillary viscometry worked well to correlate relative viscosity with somatic cell count, but that it was sensitive to the reagent concentration. It can therefore be deduced that the rheology of the gel is complicated not only by it being non-Newtonian, but also by the strong dependence on test conditions. These make designing a successful sensor much more challenging.
On heating milk, the dissociation of κ-casein from the casein micelles can precede interactions with the denatured whey proteins
Authors: Anema Skelte G 
Published: August 2008

When κ-casein (κ-CN) was added to milk, and the milk was subsequently pH adjusted (pH 6·5−6·9) and heated (90°C/15 min), the serum contained considerably higher levels of denatured whey proteins than the milks without added κ-CN. When milk at pH 6·5−6·9 was heated at 90°C for different times, κ-CN was found in the serum in the early stages of heating and before significant levels of whey proteins were denatured. κ-CN reached its maximum level in the serum before the whey proteins were fully denatured. When milk at pH 6·5−6·9 was heated at 20−90°C for 15 min, κ-CN dissociated from the casein micelles at all temperatures, with the level in the serum increasing with the temperature and the pH at heating. κ-CN dissociated from the micelles at temperatures below those at which significant levels of the whey proteins were denatured. When taken together, the results from these experiments strongly indicate that the dissociation of κ-CN from the micelles can precede the interaction of the denatured whey proteins with κ-CN, and that there is a preferential interaction of the denatured whey proteins with serum-phase κ-CN.
Nonlinear interaction between a resonance-mode (k∥=0) wave and energetic plasma particles
Authors: SHKLYAR DAVID R. 
Published: August 2008

AbstractNonlinear resonant interaction between energetic particles and quasi-electrostatic wave propagating perpendicularly to the ambient magnetic field in a homogeneous plasma is studied in detail, with the main focus on the wave amplification or attenuation caused by resonant interaction. As for k∥ → 0, resonance velocity determined from linear resonance conditions tends to infinity, the interaction under discussion is a completely nonlinear phenomenon. While the wave amplitude may increase or decrease depending on the wave parameters and integral characteristics of the energetic particle distribution function, an essential wave amplification may occur when the wave frequency is close to a multiple of cyclotron harmonic, and when the transversal energy of resonant particles is large enough.