bluuebunny/crossref_metadata_2025_split huggingface dataset:
Preparation of Sterically Protected 3,4-Bis(phosphinidene)cyclobutenes and Their Isomerism
Authors: Yoshifuji Masaaki , Toyota Kozo , Murayama Michiko , Yoshimura Hideki , Okamoto Akihiro , Hirotsu Ken , Nagase Sigeru 
Published: May 2006

Abstract
Sterically protected bis(phosphinidene)cyclobutenes were prepared starting from the diphosphane and their isomerism involving a 1,6-diphosphahexa-1,2,4,5-tetraene intermediate, which is both cumulative and conjugated, was studied. X-Ray crystallographic study of the (E,Z)-phosphinidenecyclobutene shows that the molecule suffers from large steric congestion between intra- and inter-substituents.
Novel Construction of 4H-2,3-Dihydro-1,3-benzothiazine Ring via Nickel(0)-Catalyzed Reaction of o-Iodobenzamide or o-Iodobenzonitrile with Thioureas
Authors: Takagi Kentaro 
Published: May 2006

Abstract
Nickel(0) complex induced the catalytic reaction of o-iodobenzamide or o-iodobenzonitrile with thioureas giving rise to cyclized products, 4H-2,3-dihydro-2-imino-1,3-benzothiazin-4-one or 4H-2,3-dihydro-1,3-benzothiazine-2,4-diimine.
EXAFS Study on Chloranilate Complexes of Lanthanoid(III)
Authors: Sudoh Susumu , Miyanaga Takafumi , Ohta Shigehiro , Nagao Yoshitaka , Katagiri Shigeyoshi 
Published: May 2006

Abstract
The local structures of lanthanoid(III) chloranilate complexes have been studied by the extended X-ray absorption fine structure (EXAFS) spectroscopy. The Fourier transformed EXAFS spectra suggest that the complexes are rigid three dimensional network structures. The distances between a metal and coordinated atoms estimated from EXAFS spectra are correlated to the ionic radii of lanthanoid(III) ions very well.
Porphyrins Coupled with Nucleoside Bases. Synthesis and Characterization of Adenine- and Thymine-Porphyrin Derivatives
Authors: Hisatome Masao , Maruyama Noriaki , Furutera Tetsuo , Ishikawa Tomoyasu , Yamakawa Koji 
Published: May 2006

Abstract
Several porphyrins linked to an adenine or thymine have been synthesized. Spectroscopic study suggested an interaction between the porphyrin ring and the base moiety, and indicated nucleoside base recognition ability of the compounds.
Extended Micro-Raman Densimeter for CO2 Applicable to Mantle-originated Fluid Inclusions
Authors: Yamamoto Junji , Kagi Hiroyuki 
Published: May 2006

Abstract
Micro-Raman spectroscopy enables nondestructive analyses of CO2 fluid density in a very small volume. For application of the method to CO2 fluid inclusions in minerals originated from the deep Earth having widely various densities, we extended the relational expression between the density and Raman spectra of CO2 up to the density corresponding to the boundary between liquid and solid.
Reviews
Authors: Dupont Benoit , Gibbs Anita 
Published: May 2006

Blue Army: Paramilitary Policing in Australia; Jude McCulloch (2001) Melbourne: Melbourne University Press, 289 pp. ISBN 0-522-84960-1, Paperback. Crime, State and Citizen; David Faulkner (2001) Waterside Press:Winchester, England, 360 pp.
Risk of Reamputation in Diabetic Patients Stratified by Limb and Level of Amputation
Authors: Izumi Yuki , Satterfield Kathleen , Lee Shuko , Harkless Lawrence B. 
Published: May 2006

OBJECTIVE—This study examined the risk of reamputation, stratified by original level of amputation, in a population of diabetic patients. We also illustrated reamputation rates by ipsilateral and contralateral limbs.RESEARCH DESIGN AND METHODS—The study population included 277 diabetic patients with a first lower-extremity amputation performed between 1993 and 1997 at University Hospital in San Antonio, Texas. Reamputation episodes for the ipsilateral and contralateral limbs were recorded through 2003. Using a cumulative incidence curve analysis, we compared the reamputation rate by limb. Cumulative rates of reamputation were calculated for each limb at each amputation level at 1, 3, and 5 years.RESULTS—Cumulative rates of reamputation per person were 26.7% at 1 year, 48.3% at 3 years, and 60.7% at 5 years. Ipsilateral reamputation per amputation level at the 1-, 3-, and 5-year points were toe: 22.8, 39.6, and 52.3%; ray: 28.7, 41.2, and 50%; midfoot: 18.8, 33.3, and 42.9%; and major: 4.7, 11.8, and 13.3%. For contralateral reamputation, the rates at 1, 3, and 5 years were toe: 3.5, 18.8, and 29.5%; ray: 9.3, 21.6, and 29.2%; midfoot: 9.4, 18.5, and 33.3%; and major: 11.6, 44.1, and 53.3%.CONCLUSIONS—This study showed that a patient is at greatest risk for further same-limb amputation in the 6 months after the initial amputation. Although risk to the contralateral limb rises steadily, it never meets the level of that of the ipsilateral limb. This finding will help clinicians focus preventive efforts and medical resources during individualized at-risk periods for diabetic patients undergoing first-time amputations.
Comparative studies on enzyme preparations and role of cell components for (R)‐phenylacetylcarbinol production in a two‐phase biotransformation
Authors: Satianegara Gernalia , Rogers Peter L. , Rosche Bettina 
Published: May 2006

AbstractWhole cell pyruvate decarboxylase (PDC) from Candida utilis enhanced the enzymatic production of (R)‐phenylacetylcarbinol (PAC) in an aqueous/octanol biotransformation compared to the partially purified PDC especially for a lower range of initial activities (0.3–2.5 U/mL). With an initial activity of 1.1 U/mL and at a 1:1 phase volume ratio, whole cell PDC achieved a maximum specific PAC production of 42 mg/U (2.8 g/L/h) in comparison to 13 mg/U (0.9 g/L/h) for partially purified PDC. The enhanced performance of whole cell PDC was associated with high stability towards the substrate benzaldehyde. The strong PDC inactivation by benzaldehyde was minimal even when whole cells were broken as long as cell debris was not removed from the broken cells. Biotransformations with various cellular components added to partially purified PDC revealed that membrane components especially 2 mg/mL phosphatidylcholine enhanced PAC concentrations. The role of surfactants was further confirmed from the results with synthetic surfactant sodium bis(2‐ethyl‐1‐hexyl)sulfosuccinate (AOT). It was apparent that the membrane components in whole cells were sufficient for optimal PAC production and no further surfactant addition is required for optimal performance. © 2006 Wiley Periodicals, Inc.
High growth rate and substrate exhaustion results in rapid cell death and lysis in the thermophilic bacterium Geobacillus thermoleovorans
Authors: Pavlostathis Spyros G. , Marchant Roger , Banat Ibrahim M. , Ternan Nigel G. , McMullan Geoffrey 
Published: May 2006

AbstractBatch cultures of the thermophilic bacterium Geobacillus thermoleovorans T80 attained extremely high‐specific glucose utilization rates leading to high specific growth rates, followed by extensive cell death and lysis with the onset of substrate exhaustion. The dramatic decrease in live cell numbers, as determined by flow cytometry, was accompanied by the release of soluble protein. Once the growth phase reached the point of commitment to lysis created by the impending exhaustion of substrate, the addition of extra carbon substrate did not halt the rapid death rate and lysis, although, towards the end of the exponential growth phase, the substrate was utilized producing only a small additional biomass concentration as a result of the net effect of cell growth and death. This lytic phenomenon was observed when a range of different carbon substrates (glucose, pyruvate, acetate, n‐hexadecane, nutrient broth), as well as ammonium (the nitrogen source) in the presence of excess carbon source, reached near exhaustion. The rate and extent of cell death and the ensuing lysis depend on the culture growth rate. Cultures batch grown with a lower initial substrate concentration, or at a lower temperature, or at lower dilution rates for continuous‐flow cultures, exhibited a lower rate and extent of cell death and lysis. Batch re‐culture of the persister cells resulted in a behavior identical to that of the original culture indicating that these cells were not genetically modified. The glucose utilization, cell growth and death rates were mathematically described based on Monod kinetics and estimated values of pertinent biokinetic constants are reported. © 2006 Wiley Periodicals, Inc.
A New Asymmetric Total Synthesis of Enantiopure (‐)‐Malyngolide.
Authors: Miyamoto Hidetoshi , Iwamoto Mitsuhiro , Nakada Masahisa 
Published: May 2006

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
The “Building‐Block” Assembly of a [Ni12Mn6] Aggregate (Eur. J. Inorg. Chem. 10/2006)
Authors: Wu Gang , Clérac Rodolphe , Wernsdorfer Wolfgang , Qiu Shilun , Anson Christopher E. , Hewitt Ian J. , Powell Annie K. 
Published: May 2006

AbstractThe cover picture shows a mixed metal Mn6Ni12 compound that results when manganese(II) and nickel(II) percursor building blocks are allowed to self‐assemble. The resulting structure contains a trigonal‐prismatic central framework portion made up by linking six manganese(II) coordination compound precursors with meridionally arranged labile water ligands, which are replaced here by linking carboxylate units. This framework is decorated with three self‐assembled nickel(II) acetate/methoxide cubane units. The overall structure is similar to a wind turbine having a hexanuclear manganese spindle with the nickel cubanes as blades. The synthetic strategy is a promising means for obtaining high‐nuclearity heterometallic assemblies with interesting magnetic properties. Details of this work are described in the Short Communication by A. K. Powell et al. on p. 1927 ff.
DIESEL‐MP2: A new program to perform large‐scale multireference‐MP2 computations
Authors: Musch Patrick , Engels Bernd 
Published: May 2006

AbstractThis article presents a new MR‐MP2 code (Multi‐Reference Møller–Plesset 2nd order) suitable for the computation MR‐MP2 energies of extended systems with strong near degeneracy effects (e.g., open shell systems). It is based on the DIESEL program package developed by Hanrath and Engels. Due to improved algorithms the new code is able to handle systems with 400–500 basis functions and more than 100 electrons. The code is made for parallel computers with distributed memory, but can also be run on local machines. It possesses two integral interfaces (MOLCAS, TURBOMOLE). The algorithms are briefly introduced and timings for the Neocarzinostatin chromophore are presented. The efficiencies of the codes obtained with Intel or GNU compilers are compared. © 2006 Wiley Periodicals, Inc. J Comput Chem 27: 1055–1062, 2006
Definition of Systematic, Approximately Separable, and Modular Internal Coordinates (SASMIC) for macromolecular simulation
Authors: Echenique Pablo , Alonso J. L. 
Published: May 2006

AbstractA set of rules is defined to systematically number the groups and the atoms of polypeptides in a modular manner. Supported by this numeration, a set of internal coordinates is defined. These coordinates (termed Systematic, Approximately Separable, and Modular Internal Coordinates—SASMIC) are straightforwardly written in Z‐matrix form and may be directly implemented in typical Quantum Chemistry packages. A number of Perl scripts that automatically generate the Z‐matrix files are provided as supplementary material. The main difference with most Z‐matrix‐like coordinates normally used in the literature is that normal dihedral angles (“principal dihedrals” in this work) are only used to fix the orientation of whole groups and a different type of dihedrals, termed “phase dihedrals,” are used to describe the covalent structure inside the groups. This physical approach allows to approximately separate soft and hard movements of the molecule using only topological information and to directly implement constraints. As an application, we use the coordinates defined and ab initio quantum mechanical calculations to assess the commonly assumed approximation of the free energy, obtained from “integrating out” the side chain degree of freedom χ, by the Potential Energy Surface (PES) in the protected dipeptide HCO‐L‐Ala‐NH2. We also present a subbox of the Hessian matrix in two different sets of coordinates to illustrate the approximate separation of soft and hard movements when the coordinates defined in this work are used. (PACS: 87.14.Ee, 87.15.‐v, 87.15.Aa, 87.15.Cc) © 2006 Wiley Periodicals, Inc. J Comput Chem 27: 1076–1087, 2006
Equilibrium on line method (ELM) for imposition of Neumann boundary conditions in the finite point method (FPM)
Authors: Sadeghirad A. , Mohammadi S. 
Published: May 2006

AbstractEquilibrium on line method (ELM) for imposition of Neumann boundary conditions in the finite point method (FPM) is presented. In contrary to weak‐form‐based methods, strong‐form‐based methods such as the FPM are often unstable and less accurate, especially for problems governed by partial differential equations with Neumann (derivative) boundary conditions. In this paper, a truly meshless approach for imposition of Neumann boundary conditions in the FPM is proposed and adopted for 2D elasticity analyses. In the proposed method, equilibrium on lines on the Neumann boundary conditions is satisfied as Neumann boundary condition equations. Numerical studies show that this method for imposition of Neumann boundary is simple to implement and computationally efficient and also leads to more stable and accurate results. Copyright © 2006 John Wiley & Sons, Ltd.
Rheology, morphology, and estimation of the interfacial tension of binary blends based on low‐density polyethylene/poly(trimethylene terephthalate) and high‐density polyethylene/poly(trimethylene terephthalate) [retracted article]
Authors: Shokri A. A. , Zamani S. E. 
Published: May 2006

AbstractIt has come to our attention that this article, “Rheology, Morphology, and Estimation of the Interfacial Tension of Binary Blends Based on Low‐Density Polyethylene/Poly(trimethylene terephthalate) and High‐Density Polyethylene/Poly(trimethylene terephthalate)” by A. A. Shokri and S. E. Zamani was previously published under the title, “Rheology, Morphology and Estimation of Interfacial Tension of LDPE/EVA and HDPE/EVA Blends” by H. A. Khonakdar, S. H. Jafari, A. Yavari, A. Asadinezhad, U. Wagenknecht, in Polymer Bulletin 54, 75–84 (2005),
.We have retracted the article, and offer our apologies to the authors of the original paper.
The study of screening phenomena under the nano‐domain formation in ferroelectric semiconductors
Authors: Morozovska Anna N. , Eliseev Eugene A. 
Published: May 2006

AbstractWe calculate the realistic sizes of nano‐domains recorded by the electric field of atomic force microscope tip in ferroelectric semiconductors. We modified the existing models of domain formation allowing for the Debye screening, recharging of sluggish surface screening layers caused by emission current between the tip apex and the domain face and the redistribution of domain depolarization field induced by the charged tip apex. We have shown that the depolarization field energy of the domain butt, Debye screening effects and field emission at high voltages lead to the essential decrease of the equilibrium domain sizes. We obtained, that the domain length and radius do not decrease continuously with voltage decrease: the domain appears with non‐zero length and radius at definite critical voltage. Such “threshold” domain formation is similar to the first order phase transition and correlates with recent theoretical and experimental investigations. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Investigation of thermal conductivity of nitride mixed crystals and superlattices by molecular dynamics
Authors: Kawamura Takahiro , Kangawa Yoshihiro , Kakimoto Koichi 
Published: May 2006

AbstractThe thermal conductivities of AlxGa1–xN and InxGa1–xN mixed crystal and AlN/GaN superlattices were investigated by molecular dynamics simulation. We used Stillinger‐Weber potentials, and Green‐Kubo's formula was employed to calculate thermal conductivity. The results showed that the value of thermal conductivity of Al0.5Ga0.5N was about 1/20 smaller than that of GaN. It was also found that the thermal conductivity of AlN/GaN superlattices along the c‐axis, which is parallel to the growth direction, was much less than that of bulk GaN. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Structural and electrical characteristics of Ag/Al0.2Ga0.8N and Ag/Al0.3Ga0.7N Schottky contacts: an XPS study
Authors: Boudjelida B. , Gee I. , Evans‐Freeman J. , Clark S. A. , Azize M. , Bethoux J.‐M. , DeMierry P. 
Published: May 2006

AbstractThe effects of successive Ag depositions on AlxGa1–xN for x = 0.20 and x = 0.30 grown by metal‐organo chemical vapour deposition (MOCVD) have been investigated using X‐ray photoelectron spectroscopy (XPS). The interfacial chemistry and electron transport properties have been studied. We report Fermi shifts ΔEF = ‐0.3 eV and ΔEF = ‐0.4 eV to lower binding energies on AlxGa1–xN for x = 0.20 and 0.30 respectively, from the clean surface to the last Ag coverage. The effects of ex‐situ hydrofluoric acid etch followed by in‐situ 600 °C ultrahigh‐vacuum (UHV) anneal have also been investigated. We show that a reduction in oxygen concentration at the surface for the two different Al concentrations may affect the surface band bending prior to metallization, hence altering the characteristics of the Schottky barrier. XPS characterization of Ag/AlxGa1–xN formed after the premetallization surface treatment shows that HF etching followed by UHV annealing produce abrupt, well‐defined interfaces. These results are discussed in the context of current models of Schottky barrier formation. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Large bandgap bowing of InxGa1–xN films and growth of blue/green InxGa1–xN/GaN MQWs on highly tensile strained GaN/Si(111) hetero structures
Authors: Lee Kang Jea , Oh Tae Su , Kim Tae Ki , Yang Gye Mo , Lim Kee Young 
Published: May 2006

AbstractInxGa1–xN films and InxGa1–xN/GaN multiple quantum wells (MQWs) were grown on highly tensile strained GaN/Si(111) structure by MOCVD. Due to the large difference of lattice constant and thermal expansion coefficient between GaN and Si, GaN growth on Si(111) substrate usually leads to an initially high dislocation density and cracks. We demonstrate the low dislocation density and crack‐free GaN films grown on Si(111) substrate introducing an AlN/GaN strain compensation layer and SixNy dislocation masking layer. The Raman shift of E2 phonon peak of GaN films on Si(111) substrate indicate the strong tensile stress (0.474 GPa). The InxGa1–xN bandgap energy depended on In‐composition, which can be fitted by a larger bowing parameter of b = 4.5 eV in Ga‐rich region (x < 0.25). Also, crack‐free InxGa1–xN/GaN MQWs with blue and green emissions were demonstrated. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Growth of GaN on patterned thick HVPE free standing GaN substrates by high pressure solution method
Authors: Boćkowski M. , Grzegory I. , Nowak G. , Łucznik B. , Pastuszka B. , Kamler G. , Wróblewski M. , Kwiatkowski P. , Jasik K. , Wawer W. , Krukowski S. , Porowski S. 
Published: May 2006

AbstractResults of high pressure solution growth of GaN on various patterned substrates are presented. The growth on MOCVD GaN/sapphires templates patterned in GaN parallel stripes and with SixNy mask is described in details. The usefulness of Mo, Ni and SiO2 films as masks for lateral overgrown of GaN is also studied. The results of crystallization on thick HVPE free standing GaN patterned in 20 µm high stripes are shown. The role of stripe edges, as seeds for growth of dislocation free GaN crystals is discussed. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
In‐plane anisotropy in uniaxially‐strained GaN films detected by optical diffraction technique
Authors: Adachi Satoru , Toda Yasunori , Ishiguro Tetsuro , Hoshino Katsuyuki , Arakawa Yasuhiko 
Published: May 2006

AbstractExciton fine structures induced by the uniaxial strain have been revealed in gallium nitride grown on an a ‐plane sapphire substrate by using the spectrally‐resolved four‐wave mixing technique. Sensitivity on the exciton polarization is enhanced by the nonlinearities of the four wave mixing signals, and therefore the safety alternative tool for mapping of the uniaxial strain field and the resultant anisotropic exchange can be offered. Such a nonlinear spectroscopic measurement gives a kind of crystalline analysis achieved in X‐ray diffraction spectroscopy as well as information of the exciton fine structures including their temporal dynamics. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Investigation of growth mechanisms of GaN quantum dots on (0001)AlN surface by ammonia MBE
Authors: Mansurov V. G. , Galitsyn Yu. G. , Nikitin A. Yu. , Zhuravlev K. S. , Vennegues Ph. 
Published: May 2006

Abstract2D and 3D nucleation kinetics of GaN on (0001)AlN was experimentally studied. The 3D nucleation rate of GaN is decreased with increasing of substrate temperature and an activation effective energy is estimated as Eeff ≈ 1 eV. Standard rate equation analysis is used for description of the 3D nucleation. The 3D critical nucleus size is estimated as i ≈ 1 (single‐atom of Ga on top of a 2D critical island). A multilayer structure of GaN QDs in AlN matrix is fabricated. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Chain Sampling Scheme under Constant Inspection Errors
Authors: Gao Yinfeng , Tang Loon Ching 
Published: May 2006

AbstractThe primary aim of this paper is to extend the inspection error consideration to chain sampling schemes, an area that has not been dealt with in the literature. A mathematical model is developed to investigate the performance of chain sampling schemes under constant inspection errors. Expressions of performance measures, such as operating characteristic function, average total inspection and average outgoing quality, are derived to aid the analysis of a general chain sampling scheme, ChSP‐4A ($c_1,\,c_2$) r, developed by Frishman. This study reveals that as Type I inspection error increases the probability of acceptance will decrease and as Type II inspection error increases the acceptance probability will increase. The effect of Type II error on the probability of acceptance is very marginal compared with that of Type I error, especially when the true fraction non‐conforming is small. In addition, the effects of inspection errors can be ‘eliminated’ by transforming to its equivalent perfect inspection counterpart, hence greatly reducing the complexity of the analysis. The effects of other sampling parameters are also studied to serve as a foundation for future plan designing purposes. Copyright © 2006 John Wiley & Sons, Ltd.