bluuebunny/crossref_metadata_2025 huggingface dataset:
Studies on preparation of metalloporphyrin‐functionalized PVI and PVI/SiO2 via axial coordination reaction
Authors: Wang Ruixin , Jiao Weizhou , Gao Baojiao
Published: November 2009

Cobalt tetraphenylporphyrin (CoTPP) was bond on the side chains of poly(N‐vinylimidazole) (PVI) and immobilized on PVI/SiO2 via axial coordination reactions, respectively, leading to the soluble metalloporphyrin‐functionalized PVI (denoted as CoTPP–PVI) and the particles CoTPP–PVI/SiO2. The above two target products were characterized using spectroscopy methods such as infrared spectrum, electronic absorption spectrum, and fluorescence emission spectrum. And the effects of various factors on the bonding reaction and immobilization reaction of CoTPP were studied in detail. The experimental results show that CoTPP–PVI and CoTPP–PVI/SiO2 can be prepared favorably through axial coordination reaction of CoTPP with the side imidazole groups of PVI and PVI/SiO2. In addition, the soluble CoTPP–PVI has all the spectral characteristics of CoTPP. As compared to CoTPP, the adsorption spectra of CoTPP–PVI exhibit red shift obviously. In the immobilization process of CoTPP on PVI/SiO2, the higher the concentrations of CoTPP and the reaction temperature, the greater the immobilization amount of CoTPP is. Copyright © 2009 John Wiley & Sons, Ltd.
The genetics of cardiovascular disease: new insights from emerging approaches
Authors: Chico Timothy JA , Milo Marta , Crossman David C
Published: November 2009

The prospect that sequencing the human genome would see rapid translation of a greater understanding of cardiovascular genetics into novel diagnostics and therapeutics has so far met with only limited success. However, diverse technological advances and exploitation of novel animal models of cardiovascular development and disease are providing ever more insight into cardiovascular diseases and development, and bring closer the prospect of ‘post‐genomic’ diagnostics and therapies. Here we review some of these emerging approaches (genome wide association studies, deep sequencing, microRNA regulation, and zebrafish as a model of cardiovascular disease and development) and discuss their potential for finally fulfilling the promise of application to clinical cardiovascular medicine. Copyright © 2009 Pathological Society of Great Britain and Ireland. Published by John Wiley & Sons, Ltd.
Pegfilgrastim in children with severe congenital neutropenia
Authors: Fioredda Francesca , Calvillo Michaela , Lanciotti Marina , Lanza Tiziana , Giunti Laura , Castagnola Elio , Lorenzi Ines , Tonelli Rossella , Ghezzi Piero , Dufour Carlo
Published: November 2009

Two pediatric patients affected by severe congenital neutropenia (SCN) were treated with 100 mcg/L/dose every 9–12 days within a pilot study (Observatory of the Italian Ministry of Health, Eudract Code 2005‐003096‐20) on the use of pegfilgrastim in patients with chronic neutropenia. Both children increased their absolute neutrophil count, reduced their infectious load, and improved their quality of life. Serum concentrations of G‐CSF observed in pegfilgrastim mirrored those seen in filgrastim. These data suggest that pegfilgrastim may be beneficial in SCN patients with an exposure of hematopoietic cells to G‐CSF similar to that on filgrastim. Pediatr Blood Cancer 2010;54:465–467. © 2009 Wiley‐Liss, Inc.
Axenfeld–Rieger ocular anomaly and retinoblastoma caused by constitutional chromosome 13q deletion
Authors: Roche Ana , Mora Jaume , Perez Maria del Mar , Gean Esther , Perez Belen , O'Callaghan Mar , Catala Jaume , De Torres Carmen , Cruz Ofelia , Prat Joan , Parareda Andreu
Published: November 2009

Axenfeld–Rieger (AR) ocular anomaly might be due to deletions of different chromosomes. No association between AR, mental retardation, and retinoblastoma has been described. We report a 2‐month‐old female with general development delay and dysmorphic features. AR anomaly was detected, and a retinoblastoma (RB) was diagnosed in a very early stage. De novo 13q deletion was identified. Systemic chemotherapy, focal cryotherapy, transpupillary thermotherapy, brachytherapy, and intra‐arterial chemotherapy were needed to control the RB. This is the first report of an association of AR, 13q deletion, and retinoblastoma, to be disclosed in patients born with such ocular and dysmorphic features. Pediatr Blood Cancer 2010;54:480–482. © 2009 Wiley‐Liss, Inc.
An introduction to liquid chromatography–mass spectrometry instrumentation applied in plant metabolomic analyses
Authors: Allwood J. William , Goodacre Royston
Published: November 2009

Over the past decade the application of non‐targeted high‐throughput metabolomic analysis within the plant sciences has gained ever increasing interest and has truly established itself as a valuable tool for plant functional genomics and studies of plant biochemical composition. Whilst proton nuclear magnetic resonance (1H‐NMR) spectroscopy is particularly appropriate for the analysis of bulk metabolites and gas chromatography mass spectrometry (GC‐MS) to the analysis of volatile organic compounds (VOC's) and derivatised primary metabolites, liquid chromatography (LC)‐MS is highly applicable to the analysis of a wide range of semi‐polar compounds including many secondary metabolites of interest to plant researchers and nutritionists. In view of the recent developments in the separation sciences, leading to the advent of ultra high performance liquid chromatography (UHPLC) and MS based technology showing the ever improving resolution of metabolite species and precision of mass measurements (sub‐ppm accuracy now being achievable), this review sets out to introduce the background and update the reader upon LC, high performance (HP)LC and UHPLC, as well as the large range of MS instruments that are being applied in current plant metabolomic studies. As well as covering the theory behind modern day LC‐MS, the review also discusses the most relevant metabolomics applications for the wide range of MS instruments that are currently being applied to LC. Copyright © 2009 John Wiley & Sons, Ltd.
Rheological properties of blends of linear and long‐chain branched polypropylenes
Authors: Tabatabaei Seyed H. , Carreau Pierre J. , Ajji Abdellah
Published: November 2009

Blends of a long‐chain branched polypropylene (LCB‐PP) and a linear polypropylene (L‐PP) were prepared using a twin‐screw extruder. Linear viscoelastic properties such as complex viscosity, storage modulus, and weighted relaxation spectrum were determined as functions of LCB‐PP content. Shear data obtained from commercial rheometers as well as from a slit‐die rheometer were used to verify the Cox‐Merz relation for the neat components as well as for a blend. Elongational properties were obtained using a Sentmanat Extensional Rheometer (SER) unit mounted on an Advanced Rheometric Expansion System (ARES) rheometer and the converging die. A significant strain hardening was observed for the neat LCB‐PP as well as for all the blends, but the strain hardening decreased with increasing strain rate. The apparent steady elongational viscosity values evaluated using the converging die were observed to be comparable at high deformation rates to those obtained from the SER unit, but the differences increased as the strain rate decreased. POLYM. ENG. SCI., 2010. © 2009 Society of Plastics Engineers
Functionalization of carbon nanotubes and carbon nanofibers used in epoxy/amine matrices that avoid partitioning of the monomers at the fiber interface
Authors: Auad Maria L. , Mosiewicki Mirna A. , Uzunpinar Cihan , Williams Roberto J.J.
Published: November 2009

Single‐wall carbon nanotubes (SWCNT), multiwall carbon nanotubes (MWCNT), and carbon nanofibers (CNF) were oxidized with a conventional H2SO4/HNO3 treatment, and the resulting COOH groups were esterified with phenyl glycidyl ether (PGE). Pristine, oxidized and esterified SWCNT, MWCNT, and CNF (1 wt%) were dispersed in diglycidyl ether of bisphenol A/polyether triamine, and cured to produce epoxy nanocomposite. The quality of the dispersion varied with surface modification in the order: COOH > unmodified > PGE, as assessed for SWCNT/epoxy composites using radial breathing modes in Raman spectra and scanning electron microscopy. Local bundling of PGE‐modified nanofillers was explained by a polymerization‐induced phase‐separation process. Dynamic mechanical analysis showed the presence of two relaxation peaks in nanocomposites prepared with unmodified and COOH‐modified SWCNT, MWCNT, and CNF, assigned to a partitioning of monomers at the carbon interface. This produced a significant decrease of the glass transition temperature. However, the esterification with PGE led to a single relaxation peak close to the one of the neat epoxy, for the three types of nanofillers without any penalty in the glassy and rubbery elastic moduli. The effect was explained by matrix exclusion from phase‐separated domains. POLYM. ENG. SCI., 2010. © 2009 Society of Plastics Engineers
Dynamic mechanical analysis of novel composites from commingled polypropylene fiber and banana fiber
Authors: Paul Sherely Annie , Sinturel Christoph , Joseph Kuruvilla , Mathew G.D. Gem , Pothan Laly A. , Thomas Sabu
Published: November 2009

Polypropylene (PP)/banana fiber (BF) composites were fabricated from PP fiber and short BF by novel commingling method. The dynamic mechanical analysis (DMA) of the composites was performed with reference to BF loading and fiber surface treatments. By the incorporation of BF into the PP matrix, the storage modulus and loss modulus have been found to increase, whereas damping factor has been found to decrease. Glass transition temperature was found to increase with increase in BF loading. The viscoelastic properties of the composites were also found to depend on fiber surface treatments. The activation energy of the composites for the glass transition has been found to be increased by the increase in BF loading. Surface treatment of the BF further increased the activation energy of the composites, indicating a stronger interface for treated fiber composites. Scanning electron microscopy (SEM) photographs of the BF showed the physical changes induced by the surface treatments. Fourier transform infrared spectroscopy (FTIR) was used to ascertain the existence of the type of interfacial bonds. The use of theoretical equations to predict the storage modulus has also been discussed. POLYM. ENG. SCI., 2010. © 2009 Society of Plastics Engineers
Addition of oils to polylactide casting solutions as a tool to tune film morphology and mechanical properties
Authors: Sawalha Hassan , Schroën Karin , Boom Remko
Published: November 2009

Poly(L‐lactide) (PLLA) films exhibit toughening by the addition of oils to the polymer casting. This was investigated by casting films from solution and evaporation in air; the investigated oils were linear alkanes, cyclic alkanes, and two terpenes (limonene and eugenol). The addition of the oils greatly influenced the morphology and thermal and mechanical properties of the films. Most oils rendered porous films, and a variety of morphologies was obtained. Films prepared with hexane and eugenol showed a solid, nonporous structure similar to neat PLLA films, with similar mechanical properties. The thermal transition temperatures of the films decreased through the addition of oil, depending on the oil used, the decrease could be up to 30°C (glass transition), 45°C (cold crystallization), and 15°C (melting temperature). The films prepared without oil were stiff and brittle. Upon addition of most of the oils, the maximum strength and elastic moduli decreased, but their ductility improved considerably. Limonene, the most extreme case, gave a very ductile film with an elongation at break up to 200%. The main conclusion of this study is that various oils can be used to tune and improve the properties of PLLA films. POLYM. ENG. SCI., 2010. © 2009 Society of Plastics Engineers
Flow balancing in die design of wood flour/HDPE composite extrusion profiles with consideration of rheological effect
Authors: Zolfaghari A. , Behravesh A.H. , Shakouri E. , Soury E.
Published: November 2009

This article presents an experimental study on the flow balance of an extrusion die for various wood flour (WF)/high‐density polyethylene (HDPE) compositions. Flow balancing, in the design of a thermoplastic extrusion die, is dependent on the material rheological properties so that a change in the material, in some cases, may result in a total redesign of the die. To investigate the importance of this particular effect, the flow balance of an extrusion die, with a U‐shaped profile having uneven wall thicknesses, was undertaken. The main feature of the die was an adjustable restrictor implemented for fine balancing similar to that employed in the slit dies. The rheological influence of wood plastic composites (WPCs) on the flow balance of the die via loading various WF contents, 40, 60, and 70% by weight, was experimentally investigated; flow balancing was performed via varying the height of the restrictor bar. Interestingly, the results showed that, for a high WF content (above 60%), the issue of flow balancing for an uneven wall thickness profile is much less complicated because of the plug flow behavior of the composite. POLYM. ENG. SCI., 2010. © 2009 Society of Plastics Engineers
String loop moduli stabilisation and cosmology in IIB flux compactifications
Authors: Cicoli M.
Published: November 2009

We present a detailed review of the moduli stabilisation mechanism and possible cosmological implications of the LARGE Volume Scenario (LVS) that emerges naturally in the context of type IIB Calabi‐Yau flux compactifications. After a quick overview of physics beyond the Standard Model, we present string theory as the most promising candidate for a consistent theory of quantum gravity. We then give a pedagogical introduction to type IIB compactifications on Calabi‐Yau orientifolds where most of the moduli are stabilised by turning on background fluxes. However in order to fix the Kähler moduli one needs to consider several corrections beyond the leading order approximations. After presenting a survey of all the existing solutions to this problem, we derive the topological conditions on an arbitrary Calabi‐Yau to obtain the LVS since it requires no fine‐tuning of the fluxes and provides a natural solution of the hierarchy problem. After performing a systematic study of the behaviour of string loop corrections for general type IIB compactifications, we show how they play a crucial rôle to achieve full Kähler moduli stabilisation in the LVS. Before examining the possible cosmological implication of these scenarios, we present a broad overview of string cosmology. We then notice how, in the case of K3‐fibrations, string loop corrections give rise naturally to an inflationary model which yields observable gravity waves. We finally study the finite‐temperature behaviour of the LVS and discuss prospects for future work.
On the use of Cu catalysts for tailoring carbon nanostructures in alcohol‐CVD
Authors: Borowiak‐Palen Ewa , Steplewska Anna , Rümmeli Mark H.
Published: November 2009

The use of the alcohol‐chemical vapor deposition (A‐CVD) process applying ferromagnetic catalyst mixes is a powerful technique for the synthesis of high purity single‐, double‐ and multiwalled carbon nanotubes (MWCNTs). Here, we report on a systematic experimental study on the preparation route of carbon nanofibres (CNFs), bamboo‐like carbon nanotubes (BMCNTs) with defined pocket size and mean diameter and MWCNTs. Copper serves as the catalyst. The morphology of the samples is controlled by the reaction temperature and the catalyst loading relative to the support content (MgO). A detailed analysis of the samples was achieved by electron transmission microscopy observations and Raman spectroscopy.

Schematic illustration showing the carbon nanostructure evolution with increasing reaction temperature.

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The morphology of silicon nanowire samples: A Raman study
Authors: Khachadorian S. , Scheel H. , Cantoro M. , Colli A. , Ferrari A. C. , Thomsen C.
Published: November 2009

Raman spectra of silicon nanowires (SiNWs) are studied as a function of laser excitation power and temperature. With increase in temperature and power a red‐shift of the SiNWs first order optical mode is observed. At ambient conditions, the Raman shift shows a saturated behavior beyond a critical power. Similar measurements, under vacuum, rule out effects due to thermal convection as a reason for the observed saturation. We assign this to a change in sample morphology. A simulation of the SiNW peak position reveals that its temperature behavior can be explained by a four‐phonon anharmonic process.

SEM image of a typical SiNWs sample. The SiNW are ∼15 nm in diameter and up to a few microns long. The sample is a large bundle of SiNWs (up to 50 µm thick) with strong porosity.

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Terahertz radiation induced non‐equilibrium carrier effects in compensated indium antimonide
Authors: Kašalynas Irmantas , Subačius Liudvikas , Seliuta Dalius , Valušis Gintaras
Published: November 2009

Nonuniformly compensated InSb is studied in stationary and pulsed dc‐electric fields under terahertz radiation illumination in temperature range of 8‐300 K. It was found that at low temperatures the sample conductance grows with applied electric field nonlinearly due to increased scattering of ionized impurities and due to activation of random fluctuation potential. We demonstrate that the terahertz irradiation leads the conductance of the sample also to increase. With the change in excitation frequency from 0.762 THz to 1.63 THZ the modulation of the sample resistance becomes lower indicating the predominance of hot electron governed effects in non‐uniform crystal due to electron mean energy and drift velocity relaxation. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Tailoring the strong coupling regime in III‐nitride based microcavities for room temperature polariton laser applications
Authors: Levrat Jacques , Butté Raphaël , Christmann Gabriel , Feltin Eric , Carlin Jean‐François , Grandjean Nicolas
Published: November 2009

We report on the properties of III‐nitride based microcavities (MCs) operating in the strong coupling regime (SCR) up to room temperature. We first discuss why this class of materials is well suited to investigate the physics of cavity polaritons, which are admixed particles resulting from the coupling between cavity photons and excitons. In addition to the high quality of the different building blocks forming the MC, we point out the role of the active medium geometry, and in particular, the impact of the quantum well number and the distribution of the latter to maximize the vacuum Rabi splitting. Thanks to a well grounded SCR at high temperatures, we demonstrate polariton lasing in the 180‐340 K range whose threshold is mainly governed by thermally activated detrapping mechanisms. Since the trap depth formed by the lower polariton branch is fixed by the exciton‐cavity photon detuning (δ), it is shown that the polariton escape rate from the trap and hence the threshold power density strongly depend on this parameter. Experimental results are well accounted for when using a simplified thermodynamic model that reproduces the threshold behavior as a function of δ in the temperature range investigated. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Photoluminescence properties of PbSe/PbS core‐shell quantum dots
Authors: Maikov Georgy I. , Vaxenburg Roman , Yanover Diana , Kigel Ariel , Sashchiuk Aldona , Lifshitz Efrat
Published: November 2009

The present study describes the investigation of the ground‐state exciton emission in the PbSe/PbS core‐shell colloidal quantum dots (CQDs) with different core‐radius/shell‐thickness ratio, by recording temperature dependence of ground‐state exciton photoluminescence (PL) properties, including line‐width, integrated PL intensity, and the temperature coefficient of energy band‐gap, over a temperature range from 1.4 K to 300 K. The obtained data reveal a reduction of the temperature coefficient of the energy band‐gap as well as slightly decrease of exciton and optical phonon coupling in the PbSe/PbS core‐shell CQDs with respect to that in the corresponding PbSe core. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Suppressed blinking in CdTe/CdSe core‐shell quantum dots
Authors: Kloper Viki , Osovsky Ruth , Cheskis Dima , Sashchiuk Aldona , Lifshitz Efrat
Published: November 2009

CdTe/CdSe core‐shell colloidal quantum dots (CQDs) were synthesized by a unique colloidal procedure permitting the growth of spherical structures with the highest emission quantum efficiency (∼90%). The CQDs photoluminescence (PL) intensity shows only minor fluctuations (<10%) in time, revealing a blinking suppression in the CQDs, while the PL of a single CQD shows the occurrence of longer lived (ns) multiexcitons, important for the applications of CQDs also in gain devices. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Impact of Pr on the properties of InP based layers for light sources and detectors
Authors: Prochazkova Olga , Grym Jan , Zavadil Jiri , Zdansky Karel , Yatskiv Roman
Published: November 2009

We report the optimization of LPE growth technique for the preparation of InP and GaInAsP high quality and high purity layers by using Pr purification effect. We have found that Pr addition into the growth melt leads to the reduction of the layer defect density by a half order of magnitude and carrier concentrations diminished to 1014 cm–3. Three types of p‐n junction based radiation detection structures were prepared and their detection performance was assessed by using α‐particles emitted from the 241Am radioactive source. The type III structure, utilizing the p‐n junction with both components grown with Pr addition, exhibits the highest charge collection efficiency. Pr admixture was also exploited in the preparation of quaternary GaInAsP(Pr) active region in the double heterostructure GaInAsP/InP emitting at 1200 nm. Purification effect of Pr addition is demonstrated by measuring impurity concentrations deduced from C‐V curves and by low temperature PL spectra. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Photoluminescence studies of MBE‐grown ZnO and MgZnO epitaxial layers
Authors: Kuokštis Edmundas , Karaliūnas Mindaugas , Juršėnas Saulius , Miasojedovas Saulius , Serevičius Tomas , Ting Shao‐Ying , Huang Jeng‐Jie , Yang Chih‐Chung
Published: November 2009

Photoluminescence (PL) and optical gain properties of ZnO and MgZnO epitaxial layers were investigated under different excitation conditions in a wide temperature range. The high‐quality layers were grown by molecular beam epitaxy technique. CW laser radiation, nano‐ and pico‐second light pulses were used as photoexcitation source. Spontaneous, stimulated, time‐resolved and time‐integrated PL of ZnO‐based layers are analyzed. The PL of the layers under low excitation is caused by annihilation of free excitons in the near‐band‐edge region. Increase of excitation in ZnO leads to radiative recombination due to non‐elastic collisions of excitons with typical P ‐line in the spectrum. Under extremely high levels of pumping excitons undergo the Mott transition and broad electron‐hole band predominates in the PL spectrum. The latter mechanism is responsible for optical gain of ZnO. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
A density functional theory study of the enantioselective reduction of prochiral ketones promoted by chiral spiroborate esters
Authors: Wei Donghui , Tang Mingsheng , Zhang Wenjing , Zhao Jing , Sun Ling , Zhao Chufeng , Wang Homgming
Published: November 2009

Recently, chiral spiroborate ester [(R)‐2‐((1,3,2‐dioxaborolan‐2‐yloxy)methyl)pyrrolidine] has been experimentally employed as an effective chiral catalyst in the borane‐mediated asymmetric reduction of prochiral ketones to produce the corresponding secondary alcohols. In this article, we have theoretically investigated the mechanism of the reduction using density functional theory. The results reveal that this reaction is accomplished via four steps. Fully geometry optimized reactants, products, transition states, and intermediates were obtained at the B3LYP/6‐31G (d, p) level. The analysis of these results reveals one pathway that is more energetically favorable, and its associated geometries correlate well with the final products of the reaction. The further calculations show that the solvent effect of THF has no great influence on enantioselectivity of this reduction. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010
Localization in some discontinuously and randomly driven quantum systems
Authors: Ghosh S. , Bhattacharyya S. P.
Published: November 2009

A charged particle moving in a harmonic, symmetric double well, a square well, or a Morse potential is allowed to interact with a discontinuously reversing spatially homogeneous electric field. Randomly reversing field is seen to cause localization in the quantum system. A critical reversal frequency is seen to exist below which no localization is manifested in the harmonic, double and square well. In the Morse case, there is dissociation if the upper limit of the interval between random kicks exceeds τmax. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010
CASPT2 study on low‐lying states of HBN and HNB radicals
Authors: Li Wen‐Zuo , Cheng Jian‐Bo , Li Qing‐Zhong , Gong Bao‐An , Sun Jia‐Zhong
Published: November 2009

In this study, some low‐lying states of the HBN and HNB radicals have been studied using multiconfiguration second‐order perturbation theory. The geometries of all stationary points along the potential energy surfaces (PESs) were optimized at the CASPT2/cc‐pVQZ level. The ground and the first excited states of HBN were predicted to be X2Π and A2Σ+ states, respectively. It was predicted that the ground state of HNB is X2Σ+ state. The A2Π state of HNB has unique imaginary frequency, which was different from the previously published results. A bending local minimum M1 was found for the first time along the 12A″ PES, and the A2Π state of HNB should be the transition state of the isomerization reactions for M1 ↔ M1. The CASPT2/ANO potential energy curves (PECs) of isomerization reactions for HBN ↔ HNB were calculated as a function of HBN bond angle. By comparing the CASPT2 and CASSCF calculated results, we concluded that the influence of the dynamic electron correlation on HBN ↔ HNB system is not large. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Whether electronegativity and hardness are manifest two different descriptors of the one and the same fundamental property of atoms—A quest
Authors: Ghosh Dulal C. , Islam Nazmul
Published: November 2009

In this report, we have tried to reveal that there is much conceptual commonality between the two fundamental theoretical descriptors of chemistry and physics—the electronegativity and the hardness. The physical hardness was introduced and theorized by condensed matter physicists. The chemical hardness was introduced by chemists to generalize and rationalize the HSAB principle. We have tried to establish that the physical hardness and the chemical hardness with evolution of time have converged to one and the same general principle—the hardness. We have also tried to understand the physical basis and operational significance of another very important descriptor arising out of theoretical constructs of chemistry—the electronegativity. We have relied upon the fact that, since these descriptors are not observables, there is no possibility of their quantum mechanical evaluation. These descriptors, therefore, should be and must be reified before suggesting ansatz for their evaluation. We have dwelt at length upon the effort of density functional definition and evaluation of electronegativity and hardness and discovered the inherent inner contradiction of the theory and measurement. We have also noted that a good number of scientists hold the opinion that the density functional formula of electronegativity is χ = I and that of hardness is η = I, where I is the ionization potential of the chemical system. This study concludes that the two fundamental descriptors—the hardness and the electronegativity originate from the same source—the electron attracting power of the screened nucleus upon valence electrons and discovers the surprising result that if one measures hardness, the electronegativity is simultaneously measured and vice versa. We have also explored the ansatz of semiempirical evaluation of electronegativity and hardness of atomic systems involving the radius of the atoms. We have noted that the ansatz for electronegativity and hardness is the same. To justify our statement that if one measures hardness, the electronegativity is simultaneously measured and vice versa, we have used the evaluated set of hardness for 103 elements of the periodic table as a scale of electronegativity and found that such set of hardness data satisfies the sine qua non of a satisfactory scale of electronegativity. The electronegativity and the hardness are two different appearances of the one and the same fundamental property of atoms. They are different and also nondifferent. They are different in their fields of application. They are nondifferent when we discuss the basic philosophical structures of their origin and development. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Competence‐conscious associative classification
Authors: Veloso Adriano , Zaki Mohammed , Meira Wagner , Gonçalves Marcos
Published: November 2009

The classification performance of an associative classifier is strongly dependent on the statistic measure or metric that is used to quantify the strength of the association between features and classes (i.e. confidence, correlation, etc.). Previous studies have shown that classifiers produced by different metrics may provide conflicting predictions, and that the best metric to use is data‐dependent and rarely known while designing the classifier. This uncertainty concerning the optimal match between metrics and problems is a dilemma, and prevents associative classifiers to achieve their maximal performance. This dilemma is the focus of this paper. A possible solution to this dilemma is to learn the competence, expertise, or assertiveness of metrics. The basic idea is that each metric has a specific sub‐domain for which it is most competent (i.e. it consistently produces more accurate classifiers than the ones produced by other metrics). Particularly, we investigate stacking‐based meta‐learning methods, which use the training data to find the domain of competence of each metric. The meta‐classifier describes the domains of competence (or areas of expertise) of each metric, enabling a more sensible use of these metrics so that competence‐conscious classifiers can be produced (i.e. a metric is only used to produce classifiers for test instances that belong to its domain of competence). We conducted a systematic and comprehensive evaluation, using different datasets and evaluation measures, of classifiers produced by different metrics. The result is that, while no metric is always superior than all others, the selection of appropriate metrics according to their competence/expertise (i.e. competence‐conscious associative classifiers) seems very effective, showing gains that range from 1.2% to 26.3% when compared with the baselines (SVMs and an existing ensemble method). Copyright © 2009 Wiley Periodicals, Inc. Statistical Analysis and Data Mining 2: 361‐377, 2009
Roughly balanced bagging for imbalanced data
Authors: Hido Shohei , Kashima Hisashi , Takahashi Yutaka
Published: November 2009

The class imbalance problem appears in many real‐world applications of classification learning. We propose an ensemble algorithm “Roughly Balanced (RB) Bagging” using a novel sampling technique to improve the original bagging algorithm for data sets with skewed class distributions. For this sampling method, the number of samples in the largest and smallest classes are different, but they are effectively balanced when averaged over all of the subsets, which supports the approach of bagging in a more appropriate way. Individual models in RB Bagging tend to show larger diversity, which is one of the keys of ensemble models, compared with existing bagging‐based methods for imbalanced data that use exactly the same number of majority and minority examples for every training subset. In addition, the proposed method makes full use of all of the minority examples by under‐sampling, which is efficiently done by using negative binomial distributions. Numerical experiments using benchmark and real‐world data sets demonstrate that RB Bagging shows better performance than the existing “balanced” methods and other common methods for area under the ROC curve (AUC), which is a widely used metric in the class imbalance problem. Copyright © 2009 Wiley Periodicals, Inc. Statistical Analysis and Data Mining 2: 412‐426, 2009
Fault‐Tolerant Scheme on Partial Differential Equations with Nearest‐Neighbor Mesh‐Connected Machines
Authors: Osawa Gyo , Kawai Toshio , Aiso Hideo
Published: November 2009

In the numerical computation of a partial differential equation, it is useful to employ a parallel computer, where a large number of processors are connected in a mesh form. Such a scheme is now realizable with the advent of modern VLSI technology. On the other hand, there arises a request for the fault tolerancy with the increase of the processing units. When a partial differential equation is to be solved by such a computer, the requirement is not severe for the completeness of the data, since the iterative method usually is employed. This paper considers a problem of this nature, and discusses the recovery from the fault within the execution. The method is to detect the fault, to modify the connections among the processing units, separating the processing unit in fault, and to continue the computation by modifying a part of the discrete algorithm. By the proposed method, the dynamic recovery from the fault is easily realized, and the degradation of the computation accuracy due to the fault is suppressed. The proposed scheme is implemented on the parallel computer PAX‐32 with 32 processing units. The actual result of solving a two‐dimensional Poisson equation is presented, and a theoretical evaluation is made for the error in the one‐dimensional problem.
An Experimental Evaluation of Classifiers Using Spatial Context for Multispectral Images
Authors: Watanabe Takashi , Suzuki Hitoshi
Published: November 2009

In early classification of the multi‐spectral images obtained by remote sensing, pixelwise classification was used primarily. However, pixelwise classification is limited, noting only the spectral aspect of data. Several methods have been proposed to improve the classification performance by utilizing the spatial context, in addition to the spectral aspect. By contrast, few reports have been made which evaluate quantitatively those methods to present a systematic comparison. This paper considers the typical classifiers utilizing the local spatial context such as spatial continuity and spatial adjacency, which are compound decision theory, majority decision, adaptive classification and probabilistic relaxation, together with modified versions. An experiment was made to compare the classification accuracy of such classifiers. To make the quantitative evaluation objectively, artificial multispectral data simulating the LANDSAT image was used in the experiment. This paper presents the experimental result and its discussion.
A Validation Method for Communication Protocols Using Context–Free Language Theory
Authors: Kurosawa Kaoru , Kuwabara Yoshiki , Shigeno Takashi
Published: November 2009

Usually, communication protocols are modelled as a communication between two finite‐state machines. Yu and Gouda [1] have shown that if the messages of a single type and the finite‐state machine have no mixed nodes, the verification of deadlock can be made in a polynomial time. This paper shows that if the messages are of a single type, the verification of deadlock can be made in a polynomial time, even if there does exist mixed nodes. The proof is derived by indicating that the communication sequences arriving at deadlock states form a context‐free language. If there does not exist a deadlock in the protocol obtained by converting all the messages into a single type, no deadlock exists in the original protocol (the converse is not always true). In this sense, the result in this paper is important.
3–D Object Data Input System Using Rearview Mirrors
Authors: Agui Takeshi , Saito Tomohito , Nakajima Masayuki
Published: November 2009

This paper introduces a noncontact measurement technique for 3‐D data acquisition. The conventional optical projection method cannot measure a 3‐D object when a dead angle is encountered. This paper investigates a methods using rearview mirrors to increase the observability and decrease the dead angle of the projection point on the object. The rearview mirrors provide multiple view of the object in the same image, thereby simplifying the 3‐D data acquisition process.
Implementation of a Small‐Scale Prototype for Software Service System (SSS)
Authors: Tashiro Shuichi , Mori Ryoichi
Published: November 2009

The software service system (SSS) is used for software protection and distribution, aiming at a balance between the protection of the rights of the proprietor and the convenience of utilization and distribution. The distributed software includes the permission provision program describing the condition of utilization. The record of the user's right (abbreviated as record of right) describing the user's rights, is stored in the nonvolatile memory of the computer. The permission provision program refers the right record, and verifies the user's right. Based on that result, the program controls the execution, termination, stop and restart of the corresponding software.

This paper reports on the implementation of a small‐scale model for the software distribution environment by SSS. SSSBOX is constructed, which is an environment to execute the permission provision program, i.e., the proprietary management mechanism which manages the right record and provides the access of the permission provision program to the right record. The following facts were verified as the result of experiment. The permission provision program can describe various kinds of permission conditions, such as software rental, purchase, free trial and restricted permission only for specified users. On the other hand, the description aiming at construction of unreasonable right record or destruction of the right record constructed by another permission provision program, are detected during execution and is refused securely.
The Cellular Frame Model for Representation and Aggregation of Knowledge in Image Understanding
Authors: Oka Ryuichi
Published: November 2009

This paper proposes a computational model of hierarchical labeling based on cellular automaton “Cellular Frame Model.” The model of the objective world is described by defining a set of labels called Cellular Frame used for representing knowledge. The reliability of existence of labels for representation by state equations whose initial conditions are determined by input level patterns is described. The state equations are of the form of local, parallel and iterative operations. The computational process of the state equations is considered as a process of aggregation (based on input label patterns) of label knowledge introduced for model description. In this paper, model describability of Cellular Frame is discussed from two viewpoints: hierarchy of the set of labels, and graphic interpretation of aggregate model. Convergence of labeling is ensured by the fact that the state equations always converge. In addition, several hypotheses have been ascertained by showing examples of models and simulation of labeling processes by state equations.
Evaluation of Linear Interpolated Handwritten Image and an Adaptive Sampling Method for Telewriting Signal
Authors: Ohtsuka Sakuichi , Kishimoto Tomio , Sato Yuichi
Published: November 2009

When a telewriting signal of handwritten text and graphics shares a common telephone channel with voice, the data rate of the telewriting must be curtailed to maintain the quality of the audio portion. A fixed rate sampling method with linear interpolation has been used in telewriting because of its simplicity. However, this method does not perform well when distortions are caused by higher drawing speed of line strokes. To overcome such a shortcoming, this paper: (1) investigates the distortions associated with the fixed rate sampling method; (2) derives quantitative measures of interpolation distortion and truncation distortion; and (3) proposes an adaptive sampling algorithm. A writing tablet (4 dots/mm resolution) was used in the experiments to validate the objective measures, and to assess the performance of the adaptive algorithm. Experimental results indicate that while the data rates of the fixed rate sampling method and the adaptive method are almost the same, the adaptive method scores higher in the subjective image quality assessment tests.
A Clustered Multiprocessor System
Authors: Nakada Takeo , Horiguchi Susumu , Takaki Yasushi , Kawazoe Yoshiyuki , Shigei Yoshiharu
Published: November 2009

With the recent remarkable development of VLSI technology, the study and the experimental development of multiprocessors composed of a large number of processors have actively been performed. A serious problem in such systems is the contention (conflict) in communication. A clustered system is proposed as a means to ameliorate the problem, where processors are grouped into several units. This paper derives a theoretical expression for the processing efficiency of the clustered multiprocessor system. An experimental system was constructed, which is composed of 32 processors, being grouped into 4 clusters, each of which is composed of 8 processors. The design of the software and the result of implementation are described. As a practical example, the summation of a series and the solution of a system of linear equations are considered. The processing efficiencies of the clustered and nonclustered systems were measured and compared. It is shown as a result that the clustered system can improve the system efficiency considerably by adding a small amount of hardware.
Hardware‐Matching Algorithm for High‐Speed Linguistic Processing in Continuous Speech‐Recognition Systems
Authors: Hamaguchi Shigetatsu , Suzuki Yoshitake
Published: November 2009

This paper considers the Japanese speech input system which recognizes the continuously uttered speech by the standard syllable patterns. In such a system, the dictionary matching procedure is required, where all possible combinations of syllable candidates contained in the recognition result are compared with the Japanese dictionary to select the combinations of syllables contained in the dictionary (i.e., word candidates). Usually, however, there exists a tremendous number, up to several thousands, of possible combinations of syllable candidates obtained from the recognition of continuous speech. On the other hand, a Japanese dictionary, in general, contains several tens of thousands of words. Consequently, the matching procedure requires about 1 s which should be improved from the viewpoint of the system response time. This paper proposes a high‐speed algorithm which directly matches the result with the dictionary. In this algorithm, the kinds of syllable candidates contained in the recognition result of speech are mapped on the RAM address space to be compared with the dictionary, making it unnecessary to expand the result of recognition into a large number of syllable candidate combinations, as in the traditional methods. The design of LSI is discussed which realizes the proposed algorithm by a hardware. The LSI can compare 10 speech recognition results, which contain the syllable sequence length up to 7 and up to 4 candidates for each syllable, with a dictionary of 30, 000 words, in approximately 13 ms. Thus, the processing speed is improved almost by two orders of magnitude, compared with the traditional methods.
The Design Theory of Two‐Dimensional Memory Systems for Image Processing
Authors: Tayama Norio , Sun Weidong , Otawara Isao
Published: November 2009

This paper considers the two‐dimensional image memory system with the parallel access function required in the parallel image processing, and presents the design theory for its construction. So far, numerous studies have been made on the condition for the parallel access for individual memory module assignment expression. The authors believe, however, that the general theory cannot be developed by the earlier functional expression for the memory module assignment. This paper presents a new concept of “memory module assignment permutation.” Based on the proposed idea, a problem is considered concerning the mathematical properties of the memory module assignment permutation to realize the two‐dimensional image memory system with various kinds of parallel access. The problem is formulated and the design condition is described. In other words, the horizontal and vertical line mode as well as the plane‐mode are considered. The necessary and sufficient condition is derived for the memory module assignment permutation to realize the various parallel access.
An Approach for Unified User Interface in the Integrated Information System
Authors: Watanabe Toyohide
Published: November 2009

At present it is most important that information systems not only provide more powerful functionality and performance under the technologies of various data processing facilities and high‐quality data communication means, but also develop more effectual user interface with a view to constructing software development environments. The concept of integration is to support cooperative interfaces among various kinds of processing facilities, and is one of many methods which can provide effectual user interface systematically. In this paper, the integration mechanism in an information system is discussed from the viewpoint of the development of an advanced user interface. First, the logical structures and the physical structures are distinguished from the data structures, which are manipulated by individual processing facilities. Then each data object is controlled uniformly on the basis of these logical structures. The logical structure is specified definitely by users and the physical structure is managed practically by processing facilities. The approach in this paper specifies the logical structures of individual data objects hierarchically with each other, matches these logical structures uniformly, and finally, controls a unified user interface under the cooperative mechanism of processing facilities.
Trinocular Vision Using Edge Continuity and Local Features
Authors: Kitamura Yoshifumi , Kimachi Masatoshi , Yachida Masahiko
Published: November 2009

In the mechanical recognition of three‐dimensional shape, position and orientation of the object, it is important to obtain information concerning the distance to the object (depth). One of the powerful approaches for this purpose is the binocular vision (stereo method), in which two cameras are used to determine the distance based on the principle of trigonometric measurement. In this method, the three‐dimensional position of a point can easily be determined if the correspondences of feature points are established between the two images. However, the correspondence is not easy if the two images have a large number of feature points. We investigated the correspondence problem, and solved the difficulty by introducing another camera, realizing the trinocular vision and applying a simple geometrical processing. However, when the number of the feature points on the image is increased in this method, the correspondence is sometimes not unique, leading to more than one corresponding point. To solve this problem, the edge continuity and the local property of the image are combined with the geometrical constraints by trinocular vision, arriving at a satisfactory result.