bluuebunny/crossref_metadata_2025_split huggingface dataset:
Assessment of the performance of density‐functional methods for calculations on iron porphyrins and related compounds
Authors: Liao Meng‐Sheng , Watts John D. , Huang Ming‐Ju 
Published: July 2006

AbstractThe behaviors of a large number of GGA, meta‐GGA, and hybrid‐GGA density functionals in describing the spin‐state energetics of iron porphyrins and related compounds have been investigated. There is a large variation in performance between the various functionals for the calculations of the high‐spin state relative energies. Most GGA and meta‐GGA functionals are biased toward lower‐spin states and so fail to give the correct ground state for the high‐spin systems, for which the meta‐GGA functionals show more or less improvement over the GGA ones. The GGA functionals that use the OPTX correction for exchange show remarkably high performance for calculating the high‐spin state energetics, but their results for the intermediate‐spin states are somewhat questionable. A heavily parameterized GGA functional, HCTH/407, provides results which are in qualitative agreement with the experimental findings for the iron porphyrins [FeP, FeP(Cl), FeP(THF)2], but its relative energies for the high‐spin states are probably somewhat too low. The high‐spin state relative energies are then even more underestimated by the corresponding meta‐GGA functional τ‐HCTH. For the hybrid‐GGA functionals, the Hartree‐Fock (HF)‐type (or exact) exchange contribution strongly stabilizes the high‐spin states, and so the performance of such functionals is largely dependent upon the amount of the HF exchange admixture in them. The B3LYP, B97, B97‐1, and τ‐HCTH‐hyb functionals are able to provide a satisfactory description of the energetics of all the systems considered. © 2006 Wiley Periodicals, Inc. J Comput Chem 27:1577–1592, 2006
Efficiency and accuracy of the elongation method as applied to the electronic structures of large systems
Authors: Makowski Marcin , Korchowiec Jacek , Gu Feng Long , Aoki Yuriko 
Published: July 2006

AbstractCurrent state of development of the elongation method originally proposed by Imamura is presented. Recent progress in methodology, including geometry optimization and employment of the fast multiple method, is highlighted. The accuracy and efficiency of the elongation method as compared to exact canonical Hartree–Fock and Kohn–Sham approaches are discussed. Potential applications are illustrated by wide range of calculations for model systems. The elongation calculations are demonstrated to be much more efficient compared to the conventional ones with high accuracy maintained. The elongation CPU time is shown by the model calculations as linear or sub‐linear scaling for quasi‐one‐dimensional systems. Future work of development into post‐Hartree–Fock methodologies are pointed out. © 2006 Wiley Periodicals, Inc. J Comput Chem 27: 1603–1619, 2006
Dependence of calculus retropulsion on pulse duration during HO: YAG laser lithotripsy
Authors: Kang Hyun Wook , Lee Ho , Teichman Joel M.H. , Oh Junghwan , Kim Jihoon , Welch Ashley J. 
Published: July 2006

AbstractBackground and ObjectivesThe purpose of this study was to investigate the effect of optical pulse duration on stone retropulsion during Ho:YAG (λ = 2.12 µm) laser lithotripsy.Study Design/Materials and MethodsA clinical Ho:YAG laser with pulse durations was employed to fragment calculus phantoms and to evaluate stone phantom retropulsion. At a given pulse energy, optical pulse durations were divided into two discrete conditions: short pulse (τp: 120 ∼ 190 µseconds at FWHM) and long pulse (τp: 210 ∼ 350 µseconds at FWHM). Plaster of Paris calculus phantoms were ablated at different energy levels using optical fibers of varying diameters (273, 365, and 550 µm in core size). The dynamics of the recoil action of a calculus phantom was monitored using a high‐speed camera; the laser‐induced craters were evaluated with optical coherent tomography (OCT). Bubble formation and collapse were recorded with a fast flash photography setup, and acoustic transients were measured with a hydrophone.ResultsShorter pulse durations produced more stone retropulsion than longer pulses at any given pulse energy. Regardless of pulse duration, higher pulse energy and larger fibers resulted in larger ablation volume and retropulsion (P<0.05). For shorter pulse durations, more rapid bubble expansion was observed and higher amplitudes of the collapse pressure wave were measured (P<0.05).ConclusionLess retropulsion and equivalent fragmentation occurred when Ho:YAG pulse duration increased. Lasers Surg. Med. 38:762–772, 2006. © 2006 Wiley‐Liss, Inc.
Reaction of Boranes with TMS Diazomethane and Dimethylsulfoxonium Methylide. Synthesis of Poly(methylidene‐co‐TMSmethylidene) Random Copolymers
Authors: Bai Jie , Shea Kenneth J. 
Published: July 2006

AbstractSummary: Borane reacts with TDM by a sequence of insertion and disproportionation reactions to yield tris‐(trimethylsilylmethyl)borane. No further addition of TDM occurs. Triallylborane and tris‐(4‐methoxyphenylethyl)borane initiate the copolymerization of TDM and dimethylsulfoxonium methylide. The reactions afford TMS‐substituted polymethylene oligomers. The resultant poly(methylidene‐co‐TMSmethylidene) random copolymers arise from incorporation of TMSmethylidene (CHSiMe3) and methylidene (CH2) groups into the growing polymer chain one carbon at a time.Trialkylborane‐catalyzed copolymerization of trimethylsilyl diazomethane and dimethylsulfoxonium methylide.magnified imageTrialkylborane‐catalyzed copolymerization of trimethylsilyl diazomethane and dimethylsulfoxonium methylide.
Direct Synthesis of Fully Sulfonated Polyarylenethioether Sulfones as Proton‐Conducting Polymers for Fuel Cells
Authors: Bai Zongwu , Dang Thuy D. 
Published: July 2006

AbstractSummary: SPTES polymers have been successfully synthesized by direct polymerization using tetramethylene sulfone as the solvent. The chemical structures of the SPTES polymers are confirmed by FT‐IR and NMR spectroscopy. The thermal stability is characterized by TGA, and the results show that the sulfonated groups on the polymer backbone are stable up to 300 °C. The measured proton conductivity reaches values above 300 mS · cm−1 at 65 °C and 85% relative humidity. Tough, ductile, free‐standing membranes have been fabricated by solution casting from N,N‐dimethylacetamide, which indicates that the SPTES polymers have excellent membrane‐forming capability and mechanical property. The mono‐functional monomers are introduced into the polymerization to end‐cap the SPTES polymers. The end‐capping groups are effective in improving water resistance, oxidative stability, and retaining the proton conductivity.Fully sulfonated polyarylenethioether sulfone.magnified imageFully sulfonated polyarylenethioether sulfone.
Mouse oocytes derived from fetal germ cells are competent to support the development of embryos by in vitro fertilization
Authors: Shen Wei , Li Lan , Zhang Donghui , Pan Qingjie , Ding Mingxiao , Deng Hongkui 
Published: July 2006

AbstractMouse oocyte development in vitro has been studied in the past several years, but no evidence showed that the fertilizable oocytes could be obtained from the fetal mouse germ cells before the formation of the primordial follicles. In this study, an efficient and simple method has been established to obtain the mature oocytes from the fetal mouse germ cells at 16.5 days post‐coitum (dpc). For the initial of follicular formation, fetal mouse 16.5 dpc ovaries were transplanted to the recipient under the kidney capsule, and the ovaries were recovered after 14 days. Subsequently, the growing preantral follicles in the ovarian grafts were isolated and cultured in vitro for 12 days. Practically, the mature oocytes ovulated from the antral follicles were able to be fertilized in vitro and support the embryonic development. The results demonstrate that the fetal mouse 16.5 dpc germ cells are able to form primordial follicles with the ovarian pregranulosa cells during the period of transplantation in the ectopic site, and the oocytes within the growing follicles are able to mature in vitro, then are able to support the embryonic development. Mol. Reprod. Dev. © 2006 Wiley‐Liss, Inc.
Analysis of the solid phase stress tensor in multiphase porous media
Authors: G. Gray William , A. Schrefler Bernhard 
Published: July 2006

AbstractConservation equations for mass, momentum, energy, and entropy are formulated for the phases and interfaces of a three‐phase system consisting of a solid and two immiscible fluids. The microscale equations are averaged to the macroscale by integration over a representative elementary volume. Thermodynamic statements for each of the phases and interface entities are also formulated at the microscale and then averaged to the macroscale. This departure from most uses of thermodynamics in macroscale analysis ensures consistency between models and parameters at the two scales. The expressions for the macroscale rates of change of internal energy are obtained by differentiating the derived forms for energy and making use of averaging theorems. These thermodynamic expressions, along with the conservation equations, serve as constraints on the entropy inequality. A linearization of the resulting equations is employed to investigate the theoretical origins of the Biot coefficient that relates the hydrostatic part of the total stress tensor to the normal force applied at the solid surface by the pore fluids. The results here are placed in the context of other formulations and expressions that appear in the literature. Copyright © 2006 John Wiley & Sons, Ltd.
Noninvasive monitoring of chest wall movement in infants using laser
Authors: Kondo Tsutomu , Minocchieri Stefan , Baldwin David N , Nelle Mathias , Frey Urs 
Published: July 2006

AbstractTraditionally, non‐invasive monitoring of tidal volume in infants has been performed using impedance plethysmography analyzed using a one or two compartment model. We developed a new laser system for use in infants, which measures antero–posterior movement of the chest wall during quiet sleep. In 24 unsedated or sedated infants (11 healthy, 13 with respiratory disease), we examined whether the analysis of thoracoabdominal movement based on a three compartment model could more accurately estimate tidal volume in comparison to VT measured at the mouth. Using five laser signals, chest wall movements were measured at the right and left, upper and lower ribcage and the abdomen. Within the tidal volume range from 4.6 to 135.7 ml, a three compartment model showed good short term repeatability and the best agreement with tidal volume measured at mouth (r2 = 0.86) compared to that of a single compartment model (r2 = 0.62, P < 0.0001) and a two compartment model (r2 = 0.82, P < 0.01), particularly in the presence of respiratory disease. Three compartment modeling of a 5 laser thoracoabdominal monitoring permits more accurate estimates of tidal volume in infants and potentially of regional differences of chest wall displacement in future studies. Pediatr Pulmonol. 2006, 41:985–992. © 2006 Wiley‐Liss, Inc.
Dependence of conductance spectra of d ‐wave superconductors on gap suppression near surface
Authors: Pairor P. , Nilmoung S. 
Published: July 2006

AbstractThe effect of gap suppression near the surface on the conductance spectra of normal metal‐d ‐wave superconductor junctions in the tunnelling limit is theoretically studied. The positions of the maxima of the spectra for {100} junctions are found to be not always at the gap maximum of the bulk. Instead, they are at the value of the gap at the interface. For {110} junctions, zero‐bias conductance peaks is absent when the gap function is totally suppressed at the interface. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Critical temperatures in proximity coupled Nb/Pd0.86Ni0.14 bilayers
Authors: Cirillo C. , Aarts J. , Attanasio C. 
Published: July 2006

AbstractThe proximity effect between a superconductor (S) and a weak ferromagnet (F) in sputtered Nb/Pd0.86Ni0.14 bilayers has been studied. The superconducting critical temperature behavior was studied in the framework of a recent theoretical model, in two different approximations, which both give the same final results, allowing to estimate the exchange energy of the ferromagnet and the interface transparency of the S/F barrier. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Method of interlayer tunneling for studies of layered high temperature superconductors and charge density wave materials
Authors: Latyshev Yu. I. , Monceau P. , Brazovskii S. A. , Orlov A. P. , Yamashita T. , Bulaevskii L. N. 
Published: July 2006

AbstractA brief review of recent results on interlayer tunneling spectroscopy of layered high temperature superconductors (HTS) and charge density wave (CDW) materials is presented demonstrating high capability of this method for studies of both electron condensed states. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Managing Corporate Information Systems Evolution and Maintenance
Authors: Seaman Carolyn B. 
Published: July 2006

AbstractIn 2005 Idea Group Publishing released another volume on issues in software maintenance. This follows their 2003 volume entitled Advances in Software Maintenance Management: Technologies and Solutions, which I also reviewed here (Journal of Software Maintenance and Evolution: Research and Practice 2003; 15(5): 375–377). A variety of readers, with a variety of goals, will find this 2005 book useful. While it is clearly not a textbook, particular chapters could be used in a classroom setting to expose students to current streams of research in software maintenance, as well as to different perspectives on basic maintenance issues. Practitioners will find practical information on particular maintenance problems they might be facing, including the migration of a large legacy system in general (Chapters 5, 13 and 8–11), or to the Web in particular (Chapters 6, 7 and 11), assessment of maintenance and organizational structure (Chapters 3, 4 and 14), and approaches for changing how an organization carries out software development and maintenance (Chapters 2, 12, 13 and 15), as well as on maintenance management (Chapter 1). While some of these chapters provide a level of detail sufficient to allow the reader to apply the techniques and methods described, most are not meant as recipes, or detailed how‐tos of techniques. Instead, the chapters provide the necessary overview, augmented by extensive lists of references. Copyright © 2006 John Wiley & Sons, Ltd.
Properties and applications of quantum dot heterostructures grown by molecular beam epitaxy
Authors: Henini M. 
Published: July 2006

Abstract
One of the main directions of contemporary semiconductor physics is the production and study of structures with a dimension less than two: quantum wires and quantum dots, in order to realize novel devices that make use of low-dimensional confinement effects. One of the promising fabrication methods is to use self-organized three-dimensional (3D) structures, such as 3D coherent islands, which are often formed during the initial stage of heteroepitaxial growth in lattice-mismatched systems. This article is intended to convey the flavour of the subject by focussing on the structural, optical and electronic properties and device applications of self-assembled quantum dots and to give an elementary introduction to some of the essential characteristics.
Brief report: Disposable income, and spending on fast food, alcohol, cigarettes, and gambling by New Zealand secondary school students
Authors: Darling Helen , Reeder Anthony I. , McGee Rob , Williams Sheila 
Published: July 2006

ABSTRACTWe describe self‐reported sources of income and expenditure, and the association between part‐time employment and spending on fast food, alcohol, cigarettes, and gambling for a sample of 3434 New Zealand (NZ) secondary school students (mean age 15.0 years). Disposable income was usually received from parents and guardians, but nearly 40% of students also reported receiving money from part‐time employment. The proportion of students employed increased as socioeconomic rating increased, and was associated with increased purchasing of fast food and alcohol, and increased spending on cigarettes and gambling. Spending by youth has obvious public health implications, particularly when it is concentrated on products that have a negative health impact.
Cultural aspects related to the health of Andean women in Latin America: A key issue for progress toward the attainment of the Millennium Development Goals
Authors: Camacho A.V. , Castro M.D. , Kaufman R. 
Published: July 2006

AbstractInternational declarations have affirmed that health is a universal right. In order for people to exercise their right to health, their social and cultural contexts need to be acknowledged. However, due to a number of barriers encountered at different levels of society and geographically this right is not yet fully exercised by a considerable number of women in Latin America.During the last decade progress has been made in the development of public health policies and programs that integrate and recognize the differences in culture that should be considered when addressing indigenous women's health issues.However, a biomedical health model, which discounts cultural influences, prevails globally over a more integrated approach. This leads to a lack of access and use of quality reproductive health services and care among indigenous people and is one of several important factors contributing to high levels of maternal mortality and poor reproductive health among indigenous women.It is important to ensure that an intercultural approach is included in health policies, programs and services. An intercultural strategy fosters dialogue and respect among women, men, and decision‐makers and can contribute to the realization of reproductive health rights and improvement of health outcomes.The debate continues on how to accelerate progress in public policies, health programs and health services. An intercultural approach to assure the health of indigenous women should be a key part of this discussion. Specific efforts are critical for obtaining better health outcomes for indigenous women and other vulnerable populations, if not progress will stagnate in the middle of the 21st century, jeopardizing the attainment of the Millennium Development Goal (MDGs).
The rapid biophysical profile for early intrapartum fetal well‐being assessment
Authors: Tongprasert F. , Jinpala S. , Srisupandit K. , Tongsong T. 
Published: July 2006

AbstractObjective: To determine the efficacy of the rapid biophysical profile (rBPP), which uses sound‐provoked, ultrasonographically detected fetal movement and amniotic fluid index, for early intrapartum fetal well‐being assessment and prediction of adverse perinatal outcomes.Methods: Rapid BPP was performed in 330 women admitted to the labor unit of Maharaj Nakorn Chiang Mai Hospital, Chiang Mai, Thailand, from January 2005 to July 2005. Those who were delivered later than 24 h after the rBPP, or who required emergency cesarean section because of placenta previa, abruptio placentae or prolapsed cord were to be excluded. Perinatal outcomes were prospectively assessed and recorded for subsequent analysis. The predicting accuracy of rBPP was calculated according to poor outcomes, which included fetal distress, low Apgar score, admission to the neonatal intensive care unit and perinatal death.Results: Among the 330 pregnancies, there were 6 adverse perinatal outcomes (1.8%). The rBPP had a sensitivity of 50.0%, a specificity of 99.07%, a positive predictive value of 50.0%, a negative predictive value of 99.07% and an accuracy of 98.18%.Conclusion: With its simplicity, low cost and high specificity but its low sensitivity and low negative predictive value, the rBPP may be used as a back‐up test to confirm fetal well‐being during the early intrapartum period in developing countries.
Worry content across the lifespan: an analysis of 16- to 74-year-old participants in the British National Survey of Psychiatric Morbidity 2000
Authors: LINDESAY JAMES , BAILLON SARAH , BRUGHA TRAOLACH , DENNIS MICHAEL , STEWART ROBERT , ARAYA RICARDO , MELTZER HOWARD 
Published: July 2006

Background. Previous studies suggest that worry content and prevalence may vary as a function of age, but evidence is limited.Method. Cross-sectional national survey of 8580 householders in Great Britain aged between 16 and 74 years. This analysis examined the relationship between age, worry content (relationships/family, financial/housing, work, health, miscellaneous), common mental disorders, and functional limitation, adjusting for other sociodemographic factors.Results. Overall, the prevalence of worries declined with age. However, with the exception of worry about relationships, the strength of associations between worry types and mental disorder either remained constant or increased in the older age groups. Compared to the 16–24 years reference group, worries about relationships/family, finances/housing and work were lower in the 55–74 years age groups. Financial/housing worries were increased in the 25–44 years group, and health worries were increased in the 25–64 years groups. There were independent associations between all worry items and the categories of mental disorder. All worry types apart from miscellaneous worries were independently associated, positively or negatively, with functional limitation.Conclusions. Worry content in the general population varies as a function of age, gender, marital status, and educational attainment. All categories of worry are more prevalent in individuals with common mental disorders. The lower prevalence of worries and their stronger association with mental disorder in old age emphasize the clinical significance of these symptoms in this age group.
Dual Actions of Enflurane on Postsynaptic Currents Abolished by the γ-Aminobutyric Acid Type A Receptor β3(N265M) Point Mutation
Authors: Drexler Berthold , Jurd Rachel , Rudolph Uwe , Antkowiak Bernd 
Published: July 2006

Background
At concentrations close to 1 minimum alveolar concentration (MAC)-immobility, volatile anesthetics display blocking and prolonging effects on gamma-aminobutyric acid type A receptor-mediated postsynaptic currents. It has been proposed that distinct molecular mechanisms underlie these dual actions. The authors investigated whether the blocking or the prolonging effect of enflurane is altered by a point mutation (N265M) in the beta3 subunit of the gamma-aminobutyric acid type A receptor. Furthermore, the role of the beta3 subunit in producing the depressant actions of enflurane on neocortical neurons was elucidated.

Methods
Spontaneous inhibitory postsynaptic currents were sampled from neocortical neurons in cultured slices derived from wild-type and beta3(N265M) mutant mice. The effects of 0.3 and 0.6 mm enflurane on decay kinetics, peak amplitude, and charge transfer were quantified. Furthermore, the impact of enflurane-induced changes in spontaneous action potential firing was evaluated by extracellular recordings in slices from wild-type and mutant mice.

Results
In slices derived from wild-type mice, enflurane prolonged inhibitory postsynaptic current decays and decreased peak amplitudes. Both effects were almost absent in slices from beta3(N265M) mutant mice. At clinically relevant concentrations between MAC-awake and MAC-immobility, the anesthetic was less effective in depressing spontaneous action potential firing in slices from beta3(N265M) mutant mice compared with wild-type mice.

Conclusion
At concentrations between MAC-awake and MAC-immobility, beta3-containing gamma-aminobutyric acid type A receptors contribute to the depressant actions of enflurane in the neocortex. The beta3(N265M) mutation affects both the prolonging and blocking effects of enflurane on gamma-aminobutyric acid type A receptor-mediated inhibitory postsynaptic currents in neocortical neurons.