bluuebunny/crossref_metadata_2025 huggingface dataset:
Measurement of scapula upward rotation: a reliable clinical procedure
Authors: Watson L , Balster S M , Finch C , Dalziel R
Published: August 2005

Background:It is important to deal with the scapula when developing rehabilitation strategies for the shoulder complex. This requires clinical measurement tools that are readily available and easy to apply and which provide a reliable evaluation of scapula motion.

Aim:To determine the reliability of the Plurimeter-V gravity inclinometer for the measurement of scapular upward rotation positions during humeral elevation in coronal abduction in a group of patients with shoulder pathology.

Method:Twenty six patients were assessed in two repeat tests within a single testing session. Patients exhibiting a wide spectrum of shoulder pathology were selected. The angle of scapular upward rotation was measured during total shoulder abduction. The measurement protocol was performed twice during a single testing session by a single tester. Results of the two tests were compared and the reliability assessed by intraclass correlation coefficients (ICCs).

Results:There was no significant difference in the scapula measurements taken during the two tests at each testing position. Overall, there was very good intrarater reliability (ICC  =  0.88). The ICC ranged from 0.81 (at 135°) to 0.94 (at both resting and end of total shoulder abduction range).

Conclusion:The Plurimeter-V gravity inclinometer can be used effectively and reliably for measuring upward rotation of the scapula in all ranges of shoulder abduction in the coronal plane.
Effect of endurance training on lung function: a one year study
Authors: Kippelen P , Caillaud C , Robert E , Connes P , Godard P , Prefaut C
Published: August 2005

Objective:To identify in a follow up study airway changes occurring during the course of a sport season in healthy endurance athletes training in a Mediterranean region.

Methods:Respiratory pattern and function were analysed in 13 healthy endurance trained athletes, either during a maximal exercise test, or at rest and during recovery through respiratory manoeuvres (spirometry and closing volume tests). The exercise test was conducted on three different occasions: during basic endurance training and then during the precompetition and competitive periods.

Results:During the competitive period, a slight but non-clinically significant decrease was found in forced vital capacity (−3.5%, p  =  0.0001) and an increase in slope of phase III (+25%, p  =  0.0029), both at rest and after exercise. No concomitant reduction in expiratory flow rates was noticed. During maximal exercise there was a tachypnoeic shift over the course of the year (mean (SEM) breathing frequency and tidal volume were respectively 50 (2) cycles/min and 3.13 (0.09) litres during basic endurance trainingv55 (3) cycles/min and 2.98 (0.10) litres during the competitive period; p<0.05).

Conclusions:This study does not provide significant evidence of lung function impairment in healthy Mediterranean athletes after one year of endurance training.
Bone strength index in adolescent girls: does physical activity make a difference?
Authors: Greene D A , Naughton G A , Briody J N , Kemp A , Woodhead H , Corrigan L
Published: August 2005

Background:Bone strength index (BSI) combines bone mineral and bone biomechanical properties to measure resistance to bending. This index may have greater clinical significance than the more often described markers of bone mineral content (BMC), areal density, or geometry alone and, in turn, may show a stronger relation to fracture risk. The BSI is the product of volumetric cortical bone mineral density (BMD) and cross sectional moment of inertia within a region of interest. Calculations combine dual energyxray absorptiometry and magnetic resonance imaging technologies and provide a useful, non-invasive measure of in vivo bone strength.

Objectives:(a) To compare BSI in adolescent female middle distance runners and age matched controls; (b) to examine factors predictive of BSI in adolescent girls.

Methods:Twenty adolescent female middle distance runners (mean (SD) age 16 (1.7) years, physical activity 8.9 (2.1) hours a week) and 20 female controls (age 16 (1.8) years, physical activity 2.0 (0.07) hours a week) were recruited. To calculate BSI, a region of interest representing 10% of the mid-distal tibia was analysed for dual energyxray absorptiometry derived BMC and was combined with bone geometry and biomechanical properties obtained by magnetic resonance imaging assessments. Potential predictors of BSI were also examined.

Results:Independentttests showed that BMC (p  =  0.028), cortical bone volume (p  =  0.002), volumetric cortical BMD (p  =  0.004), cross sectional moments of inertia (p  =  0.005), and BSI (p  =  0.002) were higher in the distal tibia of athletes than of controls. The strongest predictor of BSI was hours of physical activity a week (R2 =  0.46).

Conclusions:Athletes habitually exposed to high training loads displayed greater BSI at the distal tibia than controls. The results further confirm BSI as a significant and discerning marker in musculoskeletal health in adolescent girls engaged in high and low mechanical loading.
Physical activity of moderate intensity in leisure time and the risk of all cause mortality
Authors: Bucksch J
Published: August 2005

Background:There are conflicting data about the health benefits of moderately intense physical activity.

Objectives:To examine the effect of such activity on all cause mortality in a German sample of men and women.

Methods:Physical activity during leisure time of 3742 men and 3445 women aged 30 to 69 was assessed in a baseline questionnaire from 1984 to 1986. The participants were observed during the follow up period until 1998 when a mortality follow up was conducted.

Results:During the follow up period, 300 women and 643 men had died. The multivariate rate ratios (RR) for the volume of lifestyle activities of moderate intensity (for example, gardening, walking, cycling) compared with sedentary lifestyle showed a clearly protective dose–response relation (p for trend <0.001) in women but not in men (p for trend 0.20). Following the recommendation for health enhancing physical activity a second analysis was conducted; 2.5 hours per week taking part in physical activity of moderate intensity decreased the relative risk of overall mortality (0.65 (95% confidence interval, 0.51 to 0.82) and 0.90 (0.77 to 1.01) for women and men, respectively).

Conclusions:The volume of lifestyle activities of moderate intensity in leisure time was inversely associated with all cause mortality in women but not in men. With regard to the health enhancing physical activity recommendation as a threshold, there were favourable findings only in women.
Can rock climbing lead to Dupuytren’s disease?
Authors: Logan A J , Mason G , Dias J , Makwana N
Published: August 2005

Objectives:To determine if rock climbing is a significant factor in the development of Dupuytren’s disease in men, and, if so, what is the most likely related factor.

Methods:Questionnaires were distributed to all 1100 members of the Climbers’ Club of Great Britain. These detailed basic information about the climber, the presence of Dupuytren’s disease, and any known risk factors for its development.

Results:About half (51%) of the questionnaires were returned. The respondents were almost entirely male. It was revealed that 19.5% of male climbers had developed Dupuytren’s disease. There was a significantly higher life time intensity of climbing activity in those with the disease. An earlier age of onset of the disease was found in climbers compared with the general population.

Conclusions:This study further strengthens the hypothesis that repetitive trauma to the palmar fascia predisposes to the development of Dupuytren’s disease in men.
Whole body vibration exercise: are vibrations good for you?
Authors: Cardinale M , Wakeling J
Published: August 2005

Whole body vibration has been recently proposed as an exercise intervention because of its potential for increasing force generating capacity in the lower limbs. Its recent popularity is due to the combined effects on the neuromuscular and neuroendocrine systems. Preliminary results seem to recommend vibration exercise as a therapeutic approach for sarcopenia and possibly osteoporosis. This review analyses state of the art whole body vibration exercise techniques, suggesting reasons why vibration may be an effective stimulus for human muscles and providing the rationale for future studies.
FORMATION OF GOLD NANOPARTICLES IN ZEOLITES
Authors: PESTRYAKOV A. , TUZOVSKAYA I. , SMOLENTSEVA E. , BOGDANCHIKOVA N. , JENTOFT F. C. , KNOP-GERICKE A.
Published: August 2005

The formation of gold nanoparticles in mordenites has been studied by the methods of FTIR spectroscopy of adsorbed CO and diffuse reflectance UV-visible spectroscopy. Different states of ionic and metallic gold were detected in the zeolite cavities and on the external surface of the zeolite – Au + and Au 3+ ions, charged clusters Au n δ+, and neutral nanoparticles Au m . The relative amount of these states depends on the method of sample preparation, type of redox treatment and the SiO 2/ Al 2 O 3 molar ratio.
FORMATION OF CATALYTICALLY ACTIVE COPPER NANOPARTICLES IN NATURAL ZEOLITES FOR COMPLETE OXIDATION OF HYDROCARBONS
Authors: PETRANOVSKII V. P. , PESTRYAKOV A. N. , KAZANTSEVA L. K. , CASTILLON BARRAZA F. F. , FARÍAS M. H.
Published: August 2005

Copper catalysts for complete oxidation of hydrocarbons supported on natural zeolites of different structure and origin were prepared by ion-exchange procedure. The catalytic experiments demonstrate that the temperature of beginning of hydrocarbons conversion is in the range of 170-300 °C, depending on the composition of the catalyst. The complete conversion can be observed for both zeolites, depending (probably) on Si/Al ratio of the zeolite matrix. Different states of the copper have been identified by the methods of UV-VIS and XPS spectroscopies and TPR by hydrogen. Whereas no changes in XRD and27Al MAS NMR was observed under condition of catalytic runs, that supports conclusion about stability of bulk material, XPS spectroscopy reveals significant altering in surface composition under different treatments due to appearance of complicated nano-species of copper, which are responsible for catalytic activity.
STRUCTURAL PROPERTIES OF BIMETALLIC CLUSTERS FROM DENSITY FUNCTIONAL CALCULATIONS
Authors: FERNÁNDEZ EVA M. , BALBÁS LUIS C. , PÉREZ LUIS A. , MICHAELIAN KARO , GARZÓN IGNACIO L.
Published: August 2005

The structural properties and energy ordering of the lowest lying isomers of bimetallic ( CuAu )n and ( PtPd )n, n=5-22 clusters have been investigated by means of density functional theory (DFT) in the generalized gradient approximation (GGA). The initial cluster geometry optimization is performed by using a genetic algorithm with the many body Gupta potential. This technique provide a distribution of the lowest energy cluster structures, that are further reoptimized using the DFT-GGA methodology. The energy ordering of isomers obtained with the Gupta potential does not agree, in general, with the one obtained using DFT-GGA for the two bimetallic clusters investigated. However, the lowest energy strucutures of the ( CuAu )n nanoalloy show icosahedral patterns in agreement with the results obtained with the model potential. For the ( PtPd )n clusters segregation effects are found, where the Pt atoms are forming the cluster core and the Pd atoms are on the cluster surface, in agreement with previous calculations using the many body Gupta potential.
DENSITY-DEPENDENT CLUSTER MODEL OF α DECAY
Authors: XU CHANG , REN ZHONGZHOU
Published: August 2005

A new cluster model of α decay is proposed where the effective potential between α-cluster and daughter nucleus is obtained from the double folding integral of the renormalized M3Y nucleon-nucleon interaction and of the density distributions of α particle and daughter nucleus. Without introducing any extra adjustment on the potential, the new model (named as the density-dependent cluster model) can successfully reproduce the experimental half-lives of α decay within a factor of 3. The model also works well for new superheavy elements which are the current interests of nuclear physics and chemistry.
FIRST-PRINCIPLES STUDY OF STRUCTURES AND ELECTRONIC PROPERTIES FOR NITRIDE-DOPED ALUMINUM CLUSTERS
Authors: WANG BAOLIN , SHI DALING , CHEN XIAOSHUANG , WANG GUANGHOU , ZHAO JIJUN
Published: August 2005

By using Gaussian98 package at BPW91 6-31g(d,p) level combined a genetic algorithm (GA) simulation, we have studied the lowest energy structural and electronic properties of the Al n N ( n =2-13) clusters. The ground-state structures, the charge transfers from Al to N site, HOMO-LUMO gap and the covalent, ionic and metallic nature with cluster size and atomic structure are investigated. Al 7 N , Al 9 N and Al 12 N cluster is found particularly stable among the Al n N clusters.
FERMI-ENERGY AND MINIMUM DIAMETER FOR METALLIC SILVER CLUSTER
Authors: HUANG BAIBIAO , DAI YING , LONG RUN , YAN CUIXIA , DAI DADI
Published: August 2005

The Fermi energy and the minimum size for silver ( Ag ) metallic clusters have been investigated by the electronic structure calculations using density functional theory method. The results reveal that the work function of clusters with metallicity has the same value as that of bulk metals. This result is interpreted by the role of localized surface states in a thin layer and furthermore it is deduced that a nonmetal layer exists at the surface of Ag bulk metals and their clusters. This layer-thickness is about the same as the lattice constant and the minimum diameter for metallic clusters is about twice of the layer-thickness.
GROWTH BEHAVIORS AND ELECTRONIC STRUCTURES OF Na AND Cu NANOCLUSTERS: THE ROLE OF sp–d HYBRIDIZATION
Authors: ITOH MASAHIRO , KUMAR VIJAY , KAWAZOE YOSHIYUKI
Published: August 2005

Ab initio calculations of the atomic and electronic structures of Cu N and Na N (N = 2 - 22) clusters show similar growth behaviors. These can be characterized into 3 regimes: planar, layered and 3D structures. Atomic structures lead to anomalies in the even-odd alternation behavior of the second order energy difference for N = 16 and 17 in both Cu N and Na N. The effects of sp-d hybridization on the atomic and electronic structures of Cu N clusters are discussed.
X-RAYS EMISSION OF HYDROGEN-LIKE AND HELIUM-LIKE ARGON IN INTERACTION WITH Mo METALLIC SURFACE
Authors: YANG Z. H. , CHEN X. M. , ZHANG Y. P. , ZHANG A. X. , ZHAO Y. T. , CUI Y. , ZHANG H. Q. , SHAO J. X. , XU X. , SU H. , XIAO G. Q.
Published: August 2005

14-GHz electron cyclotron resonance ion source (ECRIS) at the Heavy Ion Research Facility National Laboratory in Lanzhou has been used to investigate the radiative deexcitation of highly charged Ar 17+ and Ar 16+ ions as they interact with a molybdenum surface. The interaction of Ar 17+ and Ar 16+ ions above Mo Metallic Surface has been studied by looking at the X-rays with a Si ( Li ) detector. ECRIS is used in our work for the first time. As the experimental results, the X-ray spectra of Ar 17+ and Ar 16+ ions interacting with a Mo metal target have been given. The capture of many electrons by Ar 17+ and Ar 16+ ions, at low velocities, near a metallic surface, has been studied. Hollow atoms produced in the interaction of highly charged ions with a Mo metallic surface have been observed.
TRANSFER IONIZATION IN COLLISIONS OF PARTIALLY STRIPPED Fq+ WITH HELIUM ATOMS
Authors: CHEN XI-MENG , YU DE-YANG , LIU ZHAOYUAN , LIU ZHENGMIN , YANG ZHIHU , WANG QIANG , DING BAOWEI , FU HONGBIN
Published: August 2005

The cross-section ratios R of transfer ionization to single electron capture of Helium atom induced by fluorine ions in the strong-interaction region were measured by means of the position-sensitive-detection and the time-of-flight (TOF) technologies. The velocity and charge state dependence of R were studied. It is found that the R decreases when the 2q/v increases, where q and v are the charge state and velocity of projectile respectively. In this energy region the transfer ionization can be look as Two-Step process that one target electron is captured, and another electron is ionized.
QUANTUM SCATTERING OF AN ATOM FROM AN ADSORBED MOLECULE ON A SMOOTH METAL SURFACE
Authors: TSENG YUAN-TA , HUANG KEH-NING , TANG KWONG-TIN
Published: August 2005

The scattering of He atom from a single CO molecule adsorbed on a smooth metal surface is modeled with an ab initio average potential of He - CO interaction super-imposed on a perfect reflecting flat surface. Integral as well as differential cross sections are obtained from exact quantum mechanical calculations. Rayleigh oscillations are shown to be present in the energy dependence of the integral cross sections. Among many Fraunhoffer and reflection-symmetry oscillations in the differential cross sections, a single peak is identified as the rainbow oscillation. This parameter free calculation can explain the observed integral and differential cross sections better than the previously used hard hemisphere model.
CLUSTER MATTER FORMATION IN CLUSTER COLLISIONS
Authors: WANG Z. P. , ZHANG F. S. , ZENG X. H. , WANG F. , ZHANG S. F. , ZHANG Y. P.
Published: August 2005

By using the tight-binding molecular dynamics simulations in cluster collisions, we give some evidences of the structures of ( Na 9)2 cluster dimer and ( Na 4)4 cluster tetramer from the dynamical point of view. We show that the ( Na 9)2 and ( Na 4)4 cluster matter may exist as intermediate states and finally decay to compact structure in real collision process. With a technique called "sharp cooling", the stable cluster structures ( Na 9)2 and ( Na 4)4 are brought into being to end. The eigen-mode frequencies of these clusters are obtained with Fourier transform of the velocity auto-correlation function which can characterize their structure properties.
PLASMON-ASSISTED VISIBLE LIGHT EMISSION IN THE INTERACTION OF HIGHLY CHARGED IONS WITH SURFACES
Authors: ZHAO Y. T. , XIAO G. Q. , ZHANG X. A. , YANG Z. H. , ZHAN W. L. , LI F. L.
Published: August 2005

The measurements of spectra with wavelengths from 200nm to 1000nm emitted from solid surfaces excited by highly charged ions(HCIs) are reported. The results show that the spectral line of specimen materials can be excited by HCIs, and when the quantity of electric charge is more than a critical number, the intensity of the excited spectral line will be sharply enhanced. Theoretical analysis gives that, this mutation is tied up with the excitation of the conducting-electron gas plasmon in the metal surface.
INFLUENCE OF Fe INTRODUCTION METHOD ON GOLD STATE IN NaY ZEOLITE
Authors: SMOLENTSEVA E. , PESTRYAKOV A. , BOGDANCHIKOVA N. , SIMAKOV A. , AVALOS M. , FARIAS M. , DIAZ J. , GURIN V. , TOMPOS A.
Published: August 2005

The present work is devoted to the study of some properties (size, electronic state, redox properties, interaction with matrix) of gold clusters and nanosized particles in Na - Y zeolite modified by iron. Two methods of iron introduction were applied: wet-impregnation and ion-exchange, which result in different structure and reducibility of iron species. Aggregation of iron species and their probable dissolution during gold deposition in samples prepared by wet-impregnation permits to form new Au , Fe and Au - Fe species in contrast to samples prepared by ion-exchange. The strong interaction of Au with Fe species in Au/Fe - imp/NaY changes noticeably a behavior of gold nanoparticles under heating.
NON-COLLINEAR MAGNETISM IN THE Fe3 MICROCLUSTER: FREE-STANDING VS SUPPORTED ENVIRONMENTS
Authors: MARTÍNEZ E. , ROBLES R. , VEGA A. , LONGO R. C. , GALLEGO L. J.
Published: August 2005

The possibility of a non-collinear magnetic configuration of the Fe 3 microcluster supported on the Ni (001) surface has been investigated. The morphology of the supported cluster has been calculated by means of the modified embedded atom model with quenched molecular dynamics simulations, and the electronic structure for the most stable geometrical configuration has been studied using a self-consistent non-collinear spd tight-binding method parameterised to ab-initio tight-binding linear muffin tin orbital results. Our predictions are compared with previous results for the free-standing Fe 3 microcluster. The influence of the substrate in both the structure and the magnetic properties, particularly the onset of non-collinear magnetism, is discussed in detail.
MAGNETIC COUPLING CONSTANTS AND SPIN DENSITY DISTRIBUTIONS FOR CYANO-BRIDGED Gd(III)-Fe(III) AND Gd(III)-Cr(III) COMPOUNDS: BROKEN-SYMMETRY AND DENSITY FUNCTIONAL THEORY CALCULATIONS
Authors: ZHANG YI QUAN , LUO CHENG LIN , YU ZHI
Published: August 2005

Magnetic coupling constants J for the complete structures of [ Gd(capro) 2( H 2 O )4 Cr(CN) 6]• H 2 O (capro represents caprolactam) (a) and trans-[ Fe(CN) 4(μ- CN )2 Gd ( H 2 O )4 (bpy) ]•4 H 2 O •1.5 bpy (b) have been calculated using hybrid density functional theory (DFT) B3LYP combined with a modified broken symmetry approach (BS). The calculated J value of -0.24 cm-1 for a is very close to the experimental -0.33 cm-1. They both show the antiferromagnetic interaction between Gd(III) and Cr(III) . For b, although the sign of the calculated J value of 4.24 cm-1 is different from that of the experimental -0.38 cm-1, the two values both show the weak magnetic coupling interaction between Gd(III) and Fe(III) . The spin density distributions are discussed on the basis of Mulliken population analysis. For complexes a and b, both transition metal ( Fe(III) or Cr(III) ) and rare earth Gd(III) display a spin polarization effect on the surrounding atoms, where a counteraction of the opposite polarization effects leads to a low spin density on the bridging ligand C1N1 . For the compounds Gd(III) - Cr(III) (a) and Gd(III) - Fe(III) (b) in the HS states, Cr(III) has stronger spin polarization influence on the bridging atoms than Fe(III) even causing the positive spin population on the bridging atom N1 .
IMPROVEMENT OF COERCIVITY IN COBALT-DOPED ANATASE TiO2 NANOPARTICLES HYDROTHERMALLY PREPARED
Authors: WU MINGZAI , XIONG YING , JIANG NAN , QI HAI PING , CHEN QIANWANG
Published: August 2005

Anatase Ti 1-x Co x O 2 nanoparticles were prepared by a hydrothermal process at 180 °C. Ferromagnetic hysteresis loops of the as-prepared samples were measured at room temperature. The Ti 1-x Co x O 2 ( x = 0.0376) powder shows coercivity up to 700 Oe, which is the highest value reported for anatase Ti 1-x Co x O 2. X-ray diffraction (XRD), transmission electron microscopy (TEM) and magnetic measurement results provided evidence that Co was incorporated into TiO 2 lattice. Combined with the fact that the preparation was carried out in an oxidized environment starting from cobalt (II) in the oxidized state, it is suggested that the homogeneous doping of Co into the lattice of anatase should be responsible for the improvement of coercivity in anatase Ti 1-x Co x O 2 nanoparticles.
THE INVESTIGATION OF NONUNIFORM DEMAGNETIZING FIELD IN SUBMICRON MAGNETIC RECTANGULAR ELEMENTS BY MAGNETOSTATIC THEORY
Authors: ZHANG D. , KOU Z. X. , YAN Y. , LI J. , ZHAI Y.
Published: August 2005

The nonuniform demagnetizing field in rectangular elements and the effect of neighbouring elements were calculated numerically by magnetostatic theory. All elements were 10nm thick and 300 nm wide with varying aspect ratio of 1,2,4. The interelements spacing changes from 100nm to 1100nm. It was found that non-uniformities of demagnetizing field both in magnitude and direction occur in the small elements. When the spacing between elements is larger than 1m we can almost neglect all the magnetostatic interaction between elements. However, for larger element with width of 900nm, the effect from neighboring elements is stronger.
STABILITY AND SPIN DENSITY WAVE IN POLYMERIC HUBBARD CHAINS
Authors: DUAN Y. F. , LIU Z. L. , YAO K. L.
Published: August 2005

The ground state properties and spin-density wave of polymeric Hubbard chains are studied by means of the mean-field theory. It is shown that topological structure of the chain possesses a flat-band structure of the energy band. Our analysis shows that the on- site Coulomb repulsion of electrons in the chain leads to the coexistence of ferromagnetic and antiferromagnetic order, i,e., the ferrimagnetic order. Away from half filling, the system displays magnetic phase separation. Possible experimental realizations are suggested.
DECAY PROCESS OF PHOTOELECTRONS RELATED TO SHALLOW ELECTRON TRAP IN SILVER HALIDE MICROCRYSTAL
Authors: LI X. W. , LIU R. J. , DAI X. H. , ZHANG R. X. , YANG S. P. , FU G. S.
Published: August 2005

Combining the microwave absorption dielectric spectrum experiment with computer simulation, the decay process of free photoelectrons related to shallow electron trap in silver halide microcystal is investigated. It is found that when shallow electron traps exist in silver halide, the free photoelectron decay will be sped up at the beginning, and then slowed down in the subsequent process. Shallow electron traps like a reservoir can store up photoelectrons temporarily, and then release them tardily? which results in lengthening free photoelectron lifetime or decay time and enhancing the efficiency of latent image formation.
PREPARATION OF GOLD NANOPARTICLES WITH NARROW SIZE DISTRIBUTIONS AND WELL DEFINED SHAPES
Authors: HUBENTHAL FRANK , HENDRICH CHRISTIAN , OUACHA HASSAN , BLÁZQUEZ SÁNCHEZ DAVID , TRÄGER FRANK
Published: August 2005

In this contribution, we present the results of recent experiments with the objective of tailoring the size and shape of gold nanoparticles with nanosecond laser pulses. The technique is based on the size and shape dependent surface plasmon resonance frequencies of metal nanoparticles. In our recent experiments gold nanoparticles were prepared by deposition of atoms on dielectric substrates followed by diffusion and nucleation. This usually results in ensembles of oblate nanoparticles with a broad size and shape distribution. Irradiating the gold particles during growth with nanosecond laser pulses makes it possible to produce nanoparticles with a predetermined axial ratio independent of size. For example, irradiating gold nanoparticles with a photon energy of 1.65 eV during growth stabilizes an axial ratio of a/b = 0.14, a being the short axis and b the long axis of the ellipsoidal nanoparticles. Furthermore, post-growth irradiation permits tailoring the average size of the nanoparticles by laser induced surface diffusion and evaporation of atoms. In principle, it is possible to eliminate all particles of undesired sizes by choosing the appropriate photon energies. We demonstrate that narrowing of the width of the surface plasmon resonance from initially 0.52 eV (half width at half maximum) to 0.2 eV is possible by using a single laser frequency. Combining both methods, i.e. laser irradiation during and after growth, finally results in a narrow size and shape distribution of the particles.
OPTICAL PROPERTIES OF GaN GROWN ON Si (111) SUBSTRATES BY MOCVD
Authors: ZHANG B. S. , WANG J. F. , WANG Y. , ZHU J. J. , YANG H.
Published: August 2005

GaN epilayers were grown on Si (111) substrates by MOCVD. The optical properties of the samples under different growth conditions were characterized. The abnormal peaks of excitonic emissions related to cubic- GaN were observed on the samples under improper growth conditions based on the LT PL measurements. Also the peak intensity is much higher than that of hexagonal- GaN . The higher intensity of exciton peaks is attributed to the local quantum well formed between the hexagonal- and cubic- GaN . No exciton peaks of cubic- GaN were found on the sample using the optimal growth conditions.
NONLINEAR OPTICAL PROPERTIES OF AU:TiO2 MULTILAYER COMPOSITE FILMS
Authors: YU S. W. , LIAO H. B. , WEN W. J. , WONG G. K. L.
Published: August 2005

Au:TiO 2 multilayer composite films were prepared by the method of alternating multitarget magnetron sputtering technique. Samples were annealed afterwards. The surface plasmon resonances of the annealed films are around 700nm. TEM pictures showed the remained layered structure with grown gold particles between the layers. The values of χ(3) measured by degenerated four wave mixing (DFWM) are in the order of 10-7 esu which are one order larger than the previous work. The figure of merit (FOM), χ(3)/α, is in the order of 10-12 esu cm. The great improvement of χ(3) is assumed to be the result from the enhancement of field localization caused by the metallic/dielectric host multilayer structure.
THERMODYNAMIC CALCULATION OF PHASE DIAGRAM AND PHASE STABILITY WITH NANO-SIZE PARTICLES
Authors: LIU XING JUN , WANG CUI PING , JIANG JIAN ZHONG , OHNUMA IKUO , KAINUMA RYOSUKE , ISHIDA KIYOHITO
Published: August 2005

In the present paper, the surface tensions and interfacial energies for pure metals and alloys for different structures were predicted by combining with the evaluated thermodynamic parameters in the framework of the CALPHAD (Calculation of Phase Diagrams) method. It is shown that the calculated results are in good agreement with the existing experimental data. On the basis of the predicted values of surface tension and interfacial energy, the phase stability and phase diagram with nano-size particles can be calculated by considering the Gibbs-Thomson equation. The calculated results for pure Fe indicate that the fcc phase is more stable with the decreasing of size of particles, which is in agreement with the experimental data reported, and the phase diagram with nano-size particle can be calculated.
PHASE TRANSFORMATION OF BN NANOPARTICLES UNDER HIGH PRESSURE LOW TEMPERATURE CONDITIONS
Authors: CHEN Z. , LAI Z. F. , LI K. , CUI D. L. , LUN N. , WANG Q. L. , JIANG M. H.
Published: August 2005

Phase transformation of BN nanoparticles under high pressure (580~860MPa) and low temperature (270~325°C) hot press conditions was investigated. It was found that the contents of orthorhombic boron nitride (oBN) and cubic boron nitride (cBN) increased with the increase of temperature and the prolonging of hot pressing time under high pressure conditions. At the same time, because of the intergrowth of hBN, oBN and cBN. there are strong interactions among these three phases.
DIELECTRIC BEHAVIORS OF ZnFe2O4 – SiO2 COMPOSITE THIN FILMS PREPARED BY SOL-GEL METHOD
Authors: JIANG H. , LIU H. W. , YU H. , GAO F. , LIU J.-M. , NAN C. W.
Published: August 2005

The dielectric property of ZnFe2O4 – SiO2 composite thin films deposited on Pt - Ti -SiO2- Si substrates, prepared by sol-gel method, are investigated. It is observed that the thin films consist of ZnFe2O4 nanoparticles embedded in the matrix of SiO2. Such a composite structure exhibits a significantly enhanced dielectric constant with respect to SiO2 thin films without too large dielectric loss enhancement.
HARMONIC GENERATIONS OF CLUSTER Na2 IN ULTRASHORT INTENSE LASER PULSES
Authors: ZHANG F. S. , WANG F. , ABE Y.
Published: August 2005

In the framework of the time dependent local density approximation the harmonic generation of Na2 in ultrashort intense pulses is investigated. The coupling between harmonics and plasmons of Na 2 is discussed in detail with two laser frequencies 5.266 eV, which is double the resonance of the plasmon, and 1.124 eV, which is half the frequency of plasmons, and with two different peak intensities. One finds appearance of the third and the fifth harmonic generation at high ponderomotive potential.
GAS-PHASE REACTIONS OF V+ AND VO+ WITH METHANOL
Authors: CAO YALI , ZHAO XIANG , TANG ZICHAO , XIN BIN , XIONG SHAOXIANG
Published: August 2005

The reactions of V + and VO + with methanol have been investigated experimentally by FT-ICR mass spectrometer and theoretically by ab initio calculation. Both V + and VO + exhibit impressive reactivity with methanol. The products distribution of different reaction time indicate that in whole reaction processes methanol is adsorbed one by one, and no more than four methanol molecules can be solved in the first shell of central ion V +. The reaction mechanisms have been proposed, and the possible geometrical structures of products are also analyzed by DFT calculations.
GROWTH AND OPTICAL PROPERTIES OF ZnSe NANOPARTICLES VIA THERMAL EVAPORATION METHOD
Authors: ZHAO QING , AN HUIZHI , LUO XUHUI , XIANG BIN , YU DAPENG
Published: August 2005

ZnSe nanoparticles were synthesized via a simple, effective thermal evaporation method by a vapor phase reaction of Zn and Se powder. Particle characterization was performed by X-ray diffraction (XRD), transmission electron microscopy (TEM). It is found that the higher the growth temperature, the larger the nanoparticles. Obvious blue shift was observed in the photoluminescence (PL) spectra at room temperature with decreasing particle size. Raman spectra of the as-grown ZnSe nanoparticles were compared with that of the bulk ZnSe crystal. Though no obvious peak shift was observed for both the transverse optical (TO) and longitudinal optical (LO) phonon modes within the apparatus spectral resolution, non-symmetrical broadening of the LO phonon mode is obvious, indicating that the phonon lifetime is shorter in ZnSe nanoparticles than in bulk material.
OXIDE-CONFINED VERTICAL-CAVITY SURFACE-EMITTING LASERS
Authors: LIU W. L. , LI L. , ZHONG J. C. , ZHAO Y. J. , ZENG L. N. , YAN C. L.
Published: August 2005

Novel distributed Bragg reflectors (DBRs) with 6-pair- GaAs/AlAs short period superlattice for the oxide-confined vertical-cavity surface-emitting lasers (VCSEL) are designed. They are for the VCSEL that emits at 840 nm and is grown with 34-period n-type mirrors, three-quantum-well active region, and 22-period p-type mirrors. In addition, a 35-nm-layer of Al 0.98 Ga 0.02 As was inserted in the top mirrors for being selectively oxidized. The maximum output power is more than 2 mW with low threshold current of about 2 mA. The fact that the device's threshold current in both CW and pulsed operation depends slightly on the operation temperature shows its higher characteristic temperature (T0).
THE SIZE CONTROL OF UNIFORM NANOCRYSTALLINE Si GRAINS BY CONSTRAINED GROWTH MODEL
Authors: CHEN KUNJI , CHEN KAI , HAN PEIGAO , ZOU HECHENG , MA ZHONGYUAN , HUANG XINFAN
Published: August 2005

Size-controlled nanocrystalline silicon ( nc - Si ) has been prepared from a - SiN x / a - Si:H/a - SiN x ( 'a' standing for amorphous) sandwich structures by thermal annealing. Transmission electron microscope analyses show that the mean size and the grain size distribution (GSD) of the nc - Si are controlled by the annealing conditions and the a - Si sublayer thickness. Based on our theoretical model of constrained crystallization, we interpret the phenomena of the growth halt of nc - Si and higher crystallization temperature for the thinner a - Si sublayers. The experimental results show that constrained crystallization method is promising to achieve uniform and high density nc - Si array which can be used in the future nano-devices.
ONE-DIMENSIONAL MAGNETITE CHAINS OF NANOPARTICLES SYNTHESIS BY SELF-ASSEMBLY IN MAGNETIC FIELD
Authors: ZHANG Y. , SHI R. , XIONG H. Q. , ZHAI Y. , SUN Y. K.
Published: August 2005

Magnetite chains of spheres with different radii and lengths were prepared by aging ferrous hydroxide gel with 0.2M KNO3 under different external magnetic fields which induced the ultra-fine magnetite particles to combine into chain structure. The magnetite particle size and the chain length could be adjusted by varying the field intensity. The chains could be deposited on silicon substrates to form aligned structure in magnetic field. The hysteresis loops were measured in different directions by a vibrating sample magnetometer (VSM). The structure and magnetic properties were discussed.
PREPARATION AND CHARACTERIZATION OF PLZT FERROELECTRIC INVERSE OPAL
Authors: HUANG SU , LI AI-DONG , GAO YUAN , WU DI , ZHANG YONG
Published: August 2005

Ferroelectric inverse opals are promising candidates for tunable photonic crystals due to their electro-optical and elasto-optical properties. In this work, inverse opal photonic crystals of (Pb0.9La0.1)(Zr0.65Ti0.35)O3 (PLZT) were prepared through a self-assembled template replication procedure on a large area (typically 2cm × 1cm). The annealing process was optimized. The surface and cross-section were studied by a scanning electron microscope (SEM). X-ray Diffraction (XRD) results proved that PLZT in the ferroelectric perovskite phase was obtained. A band gap was observed in the transmission spectra and compared with the theoretical value.
PREPARATION AND STRUCTURAL STUDY OF MECHANICAL ALLOYED OF Co50Fe20Cu2V8B20
Authors: ZHANG X. F. , HUANG X. Q. , PENG R. W. , WANG G. Q. , ZHANG S. Y.
Published: August 2005

The amorphous alloys of Co 50 Fe 20 Cu 2 V 8 B 20 are successfully obtained by using the mechanical alloying technique. The sample is analyzed by X-ray diffraction, transmission electron microscopy and differential scanning calorimetry. The DSC result of the powder sample milled for 120 h shows a complete amorphous phase and a wide supercooled liquid region (Tx - Tg ≃ 80 K ).
ORIENTATION OF THE STRIPED PATTERNS IN A RECTANGULAR GRANULAR SYSTEM
Authors: SHI XIAODONG , MA YUQIANG
Published: August 2005

A numerical study of the pattern formation in a vibrated granular layer is presented. Granules are considered to fill in a rectangular container with its length and width changeable. Other control parameters are the vibration frequency and relative acceleration. By the molecular dynamics simulation, there are rich striped patterns to appear. It is interesting to find that the orientation of the striped patterns is related to the length and width of the container, as well as to the vibration frequency and relative acceleration. In is also found that a transition phase, the hexagon structure, is formed in some intermediate parameters.
EXCITON-LO PHONON INTERACTION IN GaAs QUANTUM DOTS
Authors: QIN G.
Published: August 2005

All the previous contributions on electron-LO phonon interaction in quantum dot structures are based on macroscopic isotropic models. The macroscopic dielectric model taking account of the phonon confinement points out that the interaction strength between electron-hole pair and LO phonon (eh-ph) in semiconductor quantum dots is size-independent that is not in accord with some of the experiment data. In this article, after taking account of the effect of transverse charges of ions, microscopic valence force field model based on group theory is used to evaluate the eh-ph and exciton-LO phonon (ex-ph) interactions in GaAs QDs with scales up to 90Å (containing 16863 ions). It turns out that both the interaction strength of eh-ph and ex-ph are not size-independent but size-sensitive.
A RAPID PREPARATION OF BISMUTH NANOWIRES VIA A MICROWAVE-ASSISTED POLYOL METHOD
Authors: ZHOU BO , REN TING , ZHU JUN-JIE
Published: August 2005

Bismuth nanowires with width of 10~20 nm, and length of ~200 nm were rapidly prepared from the reduction of Bi ( NO 3)3•5 H 2 O by ethylene glycol (EG) in alkaline solution under microwave irradiation for 5 minutes. The product was characterized by XRD, TEM and SAED. The effects of the microwave irradiation, the alkaline solution, and the solvent on the formation of bismuth nanowires were also investigated.
EXPLORING THE ENERGY LANDSCAPE
Authors: WALES DAVID J.
Published: August 2005

Calculations of structure, dynamics and thermodynamics in molecular science all rely on the underlying potential energy surface (PES). Recent advances allow us to visualise this high-dimensional object in a compact fashion, locate global minima efficiently, and sample multistep pathways to obtain rate constants. These methods have been applied to a wide variety of systems, including clusters, glasses and biomolecules, and enable us to treat dynamics on the experimental timescale and beyond.
MODELING OF RADIATION RESPONSE OF V79 CELL USING NEW CONCEPT OF CLUSTERING CLUSTERS
Authors: MA YUN-ZHI , ZHOU HONG-YU , ZHUO YI-ZHONG
Published: August 2005

A new version of two-compartment (TC) model named Revised TC (RTC) model, was proposed by redefining radiation quality factors on the basis of a new concept, clustering clusters, as average number of clusters which can cause repairable and irreparable damages (i.e., two compartments) in a cell nucleus at unit absorbed dose, respectively. The model parameters were calibrated by measured survival fractions of V79 cells at G1/S and late-S phases irradiated by 20 and 40 keV/μm deuterons and 127keV/μm 3 He ions. The initial slopes of survival fraction for V79 cells irradiated by proton and alpha particles of different LET ranging from 10 to 230 keV/μm at G1/S and late-S phases were evaluated from their track structure using the RTC model. The calculated values show basically the same trend as the measured ones, which may suggest the feasibility of the new concept of clustering clusters in biophysical models.
THEORETICAL STUDY ON THE FACTORS THAT AFFECT THE STRUCTURE AND STABILITY OF THE ADDUCT OF A NEW PLATINUM ANTICANCER DRUG WITH A DUPLEX DNA
Authors: JIA MUXIN , QU WENWEN , YANG ZUOYIN , CHEN GUANGJU
Published: August 2005

The factors that affect the structures and stability of the adducts of cisamminedichloro(2-methylpyridine)platinum(II) with a duplex DNA were probed into by the mixed quantum chemistry and molecular mechanics (QM/MM), molecular dynamics (MD) and molecular mechanics (MM) methods. It shows that the coordinate bonds between Pt and N7G, the hydrogen bond between the amine and O6G, the weak interactions between drug molecule and DNA and the positive electron charge center position of the drug molecule in the adduct affect the stability and the steric selection of the adduct greatly. And in return the structure of the adduct determine the comparatively strengths of the coordinate bonds in the adduct.
ASCERTAINING THE CORE COLLAPSE SUPERNOVA MECHANISM: The State of the Art and the Road Ahead
Authors: Mezzacappa Anthony
Published: August 2005

▪ Abstract  More than four decades have elapsed since modeling of the core collapse supernova mechanism began in earnest. To date, the mechanism remains elusive, at least in detail, although significant progress has been made in understanding these multiscale, multiphysics events. One-, two-, and three-dimensional simulations of or relevant to core collapse supernovae have shown that (a) neutrino transport, (b) fluid instabilities, (c) rotation, and (d) magnetic fields, together with proper treatments of (e) the sub- and super- nuclear density stellar core equation of state, (f) the neutrino interactions, and (g) gravity are all important. The importance of these ingredients applies to both the explosion mechanism and to phenomena directly associated with the mechanism, such as neutron star kicks, supernova neutrino and gravitational wave emission, and supernova spectropolarimetry.

Not surprisingly, current two- and three-dimensional models have yet to include (a)–(d) with sufficient realism. One-dimensional spherically symmetric models have achieved a significant level of sophistication but, by definition, cannot incorporate (b)–(d), except phenomenologically. Fully general relativistic spherically symmetric simulations with Boltzmann neutrino transport do not yield explosions, demonstrating that some combination of (b), (c), and (d) is required to achieve this. Systematic layering of the dimensionality and the physics will be needed to achieve a complete understanding of the supernova mechanism and phenomenology. The past modeling efforts alluded to above have illuminated that core collapse supernovae may be neutrino driven, magnetohydrodynamically (MHD) driven, or both, but uncertainties in the current models prevent us from being able to answer even this most basic question. And it may be that more than one possibility is realized in nature. Nonetheless, if a supernova is neutrino driven, magnetic fields will likely have an impact on the dynamics of the explosion. Similarly, if a supernova is MHD driven, the neutrino transport will dictate the dynamics of stellar core collapse, bounce, and the postbounce evolution, which in turn will create the environment in which an MHD-driven explosion would occur. Thus, although reduction will allow us to sort out the roles of each of the major physics components listed above, we will not obtain a quantitative, and perhaps even qualitative, understanding of core collapse supernovae until all components and their coupling are included in the models with sufficient realism.
A model of glucose transport and conversion to lactate in the renal medullary microcirculation
Authors: Zhang Wensheng , Edwards Aurélie
Published: August 2005

In this study, we modeled mathematically the transport of glucose across renal medullary vasa recta and its conversion to lactate by anaerobic glycolysis. Uncertain parameter values were determined by seeking good agreement between predictions and experimental measurements of lactate generation rates, as well as glucose and lactate concentration ratios between the papilla and the corticomedullary junction; plausible kinetic rate constant and permeability values are summarized in tabular form. Our simulations indicate that countercurrent exchange of glucose from descending (DVR) to ascending vasa recta (AVR) in the outer medulla (OM) and upper inner medulla (IM) severely limits delivery to the deep inner medulla, thereby limiting medullary lactate generation. If the permeability to glucose of OMDVR and IMDVR is taken to be the same and equal to 4 × 10−4 cm/s, the fraction of glucose that bypasses the IM is calculated as 54%; it is predicted as 37% if the presence of pericytes in OMDVR reduces the glucose permeability of these vessels by a factor of 2 relative to that of IMDVR. Our results also suggest that red blood cells (RBCs) act as a reservoir that reduces the bypass of glucose from DVR to AVR. The rate of lactate generation by anaerobic glycolysis of glucose supplied by blood from glomerular efferent arterioles is predicted to range from 2 to 8 nmol/s, in good agreement with lower estimates obtained from the literature (Bernanke D and Epstein FH. Am J Physiol 208: 541–545, 1965; Bartlett S, Espinal J, Janssens P, and Ross BD. Biochem J 219: 73–78, 1984).
Oxidative Stress Mediates Angiotensin II–Dependent Stimulation of Sympathetic Nerve Activity
Authors: Campese Vito M. , Shaohua Ye , Huiquin Zhong
Published: August 2005

Evidence indicates that angiotensin II (Ang II) enhances sympathetic nervous system (SNS) activity centrally and peripherally, but the exact mechanisms of this activation are not well established. We have previously shown that infusion of Ang II in the lateral cerebral ventricle raises blood pressure (BP), renal sympathetic nervous system activity (RSNA), and norepinephrine (NE) secretion from the posterior hypothalamic nuclei (PH), and reduces the abundance of interleukin-1β (IL-1β) and neuronal NO synthase (nNOS) mRNA in the PH. Pretreatment with an Ang II type 1 (AT
1
) receptor antagonist abolished these effects of Ang II. The data support the hypothesis that Ang II stimulates SNS through activation of AT
1
receptors and downregulation of nNOS. In the current studies, we tested the hypothesis that the effects of Ang II on central SNS are mediated by reactive oxygen species. To this end, we evaluated the effects of Ang II alone or in combination with 2 superoxide dismutase (SOD) mimetics, tempol (4-hydroxy-2,2,6,6-tetramethyl piperidinoxyl) and polyethylene glycol–SOD (PEG-SOD) on BP, NE secretion from the PH, RSNA, and abundance of IL-1β and nNOS mRNA in the PH Ang II raised BP, NE secretion from the PH, and RSNA and reduced the abundance of IL-1β and nNOS mRNA in the PH. Tempol and PEG-SOD completely abolished these actions of Ang II. In conclusion, these studies support the hypothesis that the effects of centrally administered Ang II on the SNS are mediated by increased oxidative stress in brain regions involved in the noradrenergic control of BP.