bluuebunny/crossref_metadata_2025_split huggingface dataset:
Dioxouranium Complexes with Acetylpyridine Benzoylhydrazones and Related Ligands
Authors: Gatto C. C. , Schulz Lang E. , Kupfer A. , Hagenbach A. , Wille D. , Abram Ulrich 
Published: April 2004

AbstractAcetylpyridine benzoylhydrazone and related ligands react with common dioxouranium(VI) compounds such as uranyl nitrate or [NBu4]2[UO2Cl4] to form air‐stable complexes. Reactions with 2, 6‐diacetylpyridinebis(benzoylhydrazone) (H2L1a) or 2, 6‐diacetylpyridinebis(salicylhydrazone) (H2L1b) give yellow products of the composition [UO2(L1)]. The neutral compounds contain doubly deprotonated ligands and possess a distorted pentagonal‐bipyramidal structure. The hydroxo groups of the salicylhydrazonato ligand do not contribute to the complexation of the metal. The equatorial coordination spheres of the complexes can be extended by the addition of a monodentate ligand such as pyridine or DMSO. The uranium atoms in the resulting deep‐red complexes have hexagonal‐bipyramidal coordination environments with the oxo ligands in axial positions.The sterical strains inside the hexagonal plane can be reduced when two tridentate benzoylhydrazonato ligands are used instead of the pentadentate 2, 6‐diacetylpyridine derivatives. Acetylpyridine benzoylhydrazone (HL2) and bis(2‐pyridyl)ketone benzoylhydrazone (HL3) deprotonate and form neutral, red [UO2(L)2] complexes. The equatorial coordination spheres of these complexes are puckered hexagons.X‐ray diffraction studies on [UO2(L1a)(pyridine)], [UO2(L1b)(DMSO)], [UO2(L2)2] and [UO2(L3)2] show relatively short U—O bonds to the benzoylic oxygen atoms between 2.328(6) and 2.389(8) Å. This suggests a preference of these donor sites of the ligands over their imino and amine functionalities (U—N bond lengths: 2.588(7)—2.701(6) Å ).
Peripheral kappa‐opioid agonists for visceral pain
Authors: Rivière Pierre J‐M 
Published: April 2004

Kappa (κ)‐ opioid receptor agonists are particularly effective analgesics in experimental models of visceral pain. Their analgesic effects are mediated in the periphery. The molecular targets involved include peripherally located κ‐receptors and possibly, at least for some nonpeptidic κ‐agonists, additional nonopioid molecular targets such as sodium channels located on primary sensory afferents.
Overall, these properties are expected to be of therapeutic interest in various visceral pain conditions, including abdominal surgery associated with postoperative pain and ileus, pancreatitis pain, dysmennorhea, labor pain and functional disorders such as irritable bowel syndrome or dyspepsia.
The first κ‐agonists to be developed were brain‐penetrating organic small molecules. Their development was eventually discontinued due to central side effects such as sedation and dysphoria attributed to κ‐receptors located behind the blood–brain barrier.
New drug discovery programs are now geared towards the design of peripherally‐selective κ‐agonists. So far, most of the organic molecule‐based peripheral κ‐agonists have achieved limited peripheral selectivity and a practically insufficient therapeutic window to justify full development.
These compounds have been used in a small number of clinical pilot studies involving visceral pain. Although encouraging, the clinical data available so far with this class of compounds are too limited and fragmented to fully validate the therapeutic utility of κ‐agonists in visceral pain. Additional clinical studies with safer κ‐agonists (i.e. with higher peripheral selectivity) are still required.
The most suitable tools to address this question in the future appear to be the newly discovered class of tetrapeptide‐based κ‐agonists, which have shown unprecedented levels of peripheral selectivity.

British Journal of Pharmacology (2004) 141, 1331–1334. doi:10.1038/sj.bjp.0705763
A comparative study of feature selection and multiclass classification methods for tissue classification based on gene expression
Authors: Li Tao , Zhang Chengliang , Ogihara Mitsunori 
Published: April 2004

Abstract
Summary: This paper studies the problem of building multiclass classifiers for tissue classification based on gene expression. The recent development of microarray technologies has enabled biologists to quantify gene expression of tens of thousands of genes in a single experiment. Biologists have begun collecting gene expression for a large number of samples. One of the urgent issues in the use of microarray data is to develop methods for characterizing samples based on their gene expression. The most basic step in the research direction is binary sample classification, which has been studied extensively over the past few years. This paper investigates the next step—multiclass classification of samples based on gene expression. The characteristics of expression data (e.g. large number of genes with small sample size) makes the classification problem more challenging.
The process of building multiclass classifiers is divided into two components: (i) selection of the features (i.e. genes) to be used for training and testing and (ii) selection of the classification method. This paper compares various feature selection methods as well as various state-of-the-art classification methods on various multiclass gene expression datasets.
Our study indicates that multiclass classification problem is much more difficult than the binary one for the gene expression datasets. The difficulty lies in the fact that the data are of high dimensionality and that the sample size is small. The classification accuracy appears to degrade very rapidly as the number of classes increases. In particular, the accuracy was very low regardless of the choices of the methods for large-class datasets (e.g. NCI60 and GCM). While increasing the number of samples is a plausible solution to the problem of accuracy degradation, it is important to develop algorithms that are able to analyze effectively multiple-class expression data for these special datasets.
A System for Automated Bacterial (genome) Integrated Annotation—SABIA
Authors: Almeida Luiz G. P. , Paixão Roger , Souza Rangel C. , da Costa Gisele C. , Barrientos Frank J. A. , dos Santos M. Trindade , de Almeida Darcy F. , Vasconcelos Ana Tereza R. 
Published: April 2004

Abstract
Summary: A web-based software suite, SABIA (System for Automated Bacterial Integrated Annotation), is described that provides a comprehensive computational support for the assembly and annotation of whole bacterial genomes from the data derived from sequencing projects.
Availability: Both SABIA and supplementary materials are available at http://www.sabia.lncc.br
Supplementary information: http:www.sabia.lncc.br/what.htm
Distinct conformational stability and functional activity of four highly homologous endonuclease colicins
Authors: van den Bremer Ewald T.J. , Keeble Anthony H. , Jiskoot Wim , Spelbrink Robin E.J. , Maier Claudia S. , Van Hoek Arie , Visser Antonie J.W.G. , James Richard , Moore Geoffrey R. , Kleanthous Colin , Heck Albert J.R. 
Published: April 2004

AbstractThe family of conserved colicin DNases E2, E7, E8, and E9 are microbial toxins that kill bacteria through random degradation of the chromosomal DNA. In the present work, we compare side by side the conformational stabilities of these four highly homologous colicin DNases. Our results indicate that the apo‐forms of these colicins are at room temperature and neutral pH in a dynamic conformational equilibrium between at least two quite distinct conformers. We show that the thermal stabilities of the apo‐proteins differ by up to 20°C. The observed differences correlate with the observed conformational behavior, that is, the tendency of the protein to form either an open, less stable or closed, more stable conformation in solution, as deduced by both tryptophan accessibility studies and electrospray ionization mass spectrometry. Given these surprising structural differences, we next probed the catalytic activity of the four DNases and also observed a significant variation in relative activities. However, no unequivocal link between the activity of the protein and its thermal and structural stability could easily be made. The observed differences in conformational and functional properties of the four colicin DNases are surprising given that they are a closely related (≥65% identity) family of enzymes containing a highly conserved (ββα‐Me) active site motif. The different behavior of the apo‐enzymes must therefore most likely depend on more subtle changes in amino acid sequences, most likely in the exosite region (residues 72–98) that is required for specific high‐affinity binding of the cognate immunity protein.
Psychoneuroimmunological Outcomes in Dementia Caregiver Intervention Studies: An Idea Whose Time Has Come?
Authors: Farran Carol J. , Loukissa Dimitra , Hauser Penny M. , McCann Judith J. , Swanson Barbara , Zeller Janice M. 
Published: April 2004

AbstractPurpose(1) Mounting evidence indicates that the chronic stress of family caregiving has physiological effects and that caregiver stress may be associated with changes in the caregiver's physical health. Existing caregiver behavioral intervention studies have focused on caregiver stress and psychological distress outcomes. To date, no known caregiver intervention studies have included psychoneuroimmunological (PNI) outcome measures. Two bodies of literature were reviewed to determine if the current state‐of‐the‐science supports the development of caregiver intervention studies that examine PNI outcomes–first, dementia caregiver PNI studies; and second, cognitive behavioral PNI intervention studies conducted with other clinical populations.Conclusions(2) If this line of research is pursued, the following issues need to be addressed: a) sampling strategies and study designs; b) measurement issues; and c) the need for multidisciplinary collaborative research teams.Implications(3) Nurses' preparation in the biomedical and behavioral sciences establishes a knowledge base that enables nurses to apply a PNI model in clinical situations. Their preparation and access to family caregivers put them in a unique position to design and implement improved caregiver interventions that focus on caregiver psychological, physiological, and physical health outcomes.
A Conversation with Henry Mintzberg
Authors: Pervin Aron 
Published: April 2004

Henry Mintzberg is both Cleghorn Professor of Management Studies at McGill University in Montreal, Canada, and professor of organization at INSEAD in Fontainebleau, France. His research deals with issues of general management and organizations; his current focus is on the nature and styles of managerial work, as well as forms of organizing and on the strategy formation process. He also heads up a team of people from five universities around the world, a group working to establish what they hope will be “next generation management education”—specifically, a master's program aimed at the “development in context” of practicing managers. His own teaching activities focus on ad hoc seminars for experienced managers and work with doctoral students. Over the years, he has worked with a number of substantial family firms and contributed to a film about a patriarchal Canadian grocery family enterprise, Steinberg's. Mintzberg received his doctorate and master of science degrees from MIT's Sloan School of Management and his mechanical engineering degree from McGill. Mintzberg is the author of the Nature of Managerial Work (1973), The Structuring of Organizations (1983), The Strategy Process (a textbook with James Brian Quinn, now in its third edition), Mintzberg on Management (1989), The Rise and Fall of Strategic Planning (1994), and the Canadian Condition: Reflections of a “Pure Cotton ” (1995). He has written about a hundred articles, including two Harvard Business Review McKinsey prize winners, “The Manager's Job: Folklore and Fact” and “Crafting Strategy.” FBR talked to Mintzberg about planning, collaboration, boards, governance and his new management program.
RelativisticAb InitioTheory using the Regular Approximation
Authors: Filatov Michael 
Published: April 2004

AbstractAn account of the theoretical methods for atomic and molecular calculations in anab initiorelativistic quantum‐mechanical framework, based on the regular approximation to the exact formalism, is presented. A brief introduction into the nature of relativistic effects and into the full four‐component relativistic quantum‐mechanical formalism is given. A classification of the quasirelativistic methods including the methods based on the Foldy–Wouthuysen transformation of the Dirac equation is presented. The concept of the regular approximation to the exact relativistic formalism is introduced. Theab initiomethods within the regular approximation ranging from the zeroth‐order regular approximation (ZORA) to the infinite‐order regular approximation (IORA) methods are described and details of their implementation are discussed. A brief survey of the results of theab initiocalculations on atomic and molecular systems concludes the account.
Reduced Scaling Electron Correlation Methods
Authors: Carter Emily A. , Walter Derek 
Published: April 2004

Abstract

We give a detailed description of recent developments in reduced scaling
ab initio
methods for treating electron correlation in atoms and molecules. Since configuration interaction (CI) is the simplest electron correlation method, it is introduced first and used as a context to describe the familiar local correlation and pseudospectral approximations. The article then goes on to discuss the application of these approximations to Møller–Plesset perturbation theories. We use the context of Møller–Plesset perturbation theories to introduce the use of integral‐direct techniques in electron correlation. These techniques are of particular importance as they eliminate major storage bottlenecks and pave the way for the treatment of ever larger systems. As such, we give step‐by‐step descriptions of the simplest integral‐direct algorithms. We discuss the particular usefulness of integral‐direct methods when the local correlation approximation is employed and how the combination of these two approaches can yield linear scaling electron correlation methods. Additionally, we describe some newly developed Møller–Plesset approaches based upon the direct use of highly localized atomic orbitals (AO) that exploit the same physical concepts as in the canonical approaches. The article concludes with a description of coupled cluster (CC) methods that take advantage of the full range of techniques described in the discussions of configuration interaction and Møller–Plesset theories. To enhance the accessibility of the article, the underlying theories behind the various
ab initio
electron correlation methods are described briefly prior to describing the reduced scaling versions of the methods.
Stabilized Blue Emission from Polymer–Dielectric Nanolayer Nanocomposites
Authors: Park J. H. , Lim Y. T. , Park O O. , Kim J. K. , Yu J. W. , Kim Y. C. 
Published: April 2004

AbstractBlue‐light‐emitting polymer (polyfluorene)/dielectric nanolayer nanocomposites were prepared by the solution intercalation method and employed in an electroluminescent (EL) device. Their photoluminescence (PL) and electroluminescence characteristics demonstrates that the interruption of interchain interaction in intercalated organic/inorganic hybrid systems reduces the low‐energy emission that results from keto‐defects. By reducing the probability that the excitons initially generated on the polyfluorenes will find keto‐defects, both the color purity and the luminescence stability were improved. Furthermore, the dielectric nanolayers have an aspect ratio of about five hundred, and therefore act as efficient exciton blocking layers and barriers to oxygen diffusion, producing a dramatic increase in the device stability. A nanocomposite device with a Li:Al alloy cathode gave a quantum efficiency of 1.0 %(ph/el), which corresponds to an approximate five times enhancement compared to the neat polymer device. The nanocomposite emitting layer is considered to have a pseudo‐multiple quantum well structure.
Statistics of multiple particle breakage accounting for particle shape
Authors: Hill Priscilla J. 
Published: April 2004

AbstractA method is presented for developing multiple particle breakage distribution functions that include the shape factor, as well as the particle size. The technique is to first develop a joint probability distribution that accounts for the size and shape factor of each child particle. This is then reduced by successive integration to the marginal probability used in the breakage equation. This technique guarantees mass conservation and exchangeability of child particles while allowing the user to choose the number of child particles formed per breakage. It also allows the user to choose the functional form for the size distribution of particles as well as independently choosing the functional form for the shape factor distribution of particles. To solve the breakage equation, a discretization method is used that conserves particle mass during breakage and correctly predicts changes in the total number of particles. Simulation results show that the shape distribution functions may yield distinguishable shape factor profiles after crushing. Comparison with experimental data indicates that these theoretical functions can be used to model real systems. © 2004 American Institute of Chemical Engineers AIChE J, 50: 937–952, 2004
Intraperitoneal chemohyperthermia and attempted cytoreductive surgery in patients with peritoneal carcinomatosis of colorectal origin
Authors: Glehen O , Cotte E , Schreiber V , Sayag-Beaujard A C , Vignal J , Gilly F N 
Published: April 2004

AbstractBackgroundColorectal cancer with peritoneal carcinomatosis is usually considered incurable. The purpose of this study was to evaluate the efficacy of intraperitoneal chemohyperthermia (IPCH) following cytoreductive surgery in patients with colorectal carcinomatosis.MethodsBetween January 1989 and August 2002, 53 patients (mean age 48·6 years) were treated by IPCH with mitomycin C. IPCH was performed in 34 patients following extensive cytoreductive surgery (more than two peritonectomy procedures). Five patients underwent two operations and one patient three operations.ResultsOperative morbidity and mortality rates were 23 and 4 per cent respectively. At a median follow-up of 59·5 months, the overall median survival was 12·8 months. The extent of carcinomatosis, completeness of cytoreduction and histological differentiation were significant prognostic indicators by univariate analysis. The median survival was 32·9 months for patients whose resection was classified as completeness of cancer resection (CCR) 0 (complete cytoreduction), 12·5 months for those whose operation was CCR-1 (diameter of residual nodules 5 mm or less) and 8·1 months for patients who had a CCR-2 resection (diameter of residual nodules more than 5 mm) (P &lt; 0·001). Completeness of cytoreduction was the only significant independent predictor of survival by multivariate analysis.ConclusionIPCH combined with cytoreductive surgery seems to be an effective therapy for carefully selected patients with carcinomatosis from colorectal cancer. This strategy was most effective in patients with carcinomatosis of limited tumour volume or when cytoreductive surgery allowed sufficient downstaging (residual tumour nodules smaller than 5 mm).
Beyond chronic myelogenous leukemia
Authors: Cortes Jorge , Kantarjian Hagop 
Published: April 2004

AbstractThe myeloproliferative disorders (MPDs) are chronic malignant conditions originating from the clonal expansion of a multipotential hematopoietic stem cell. These diseases include polycythemia vera (PV), essential thrombocythenia, atypical chronic myeloid leukemia, idiopathic hypereosinophilic syndrome (HES), agnogenic myeloid metaplasia with myelofibrosis, and others. Receptor tyrosine kinases—the platelet‐derived growth factor receptors (PDGFRs) and c‐Kit—and their respective ligands have been implicated in the pathogenesis of MPDs. For example, a constitutively activated PDGFR fusion tyrosine kinase (FIP1L1‐PDGFRA) was identified in some patients with HES, a disease characterized by sustained overproduction of eosinophils that has been classified by the World Health Organization as a chronic subtype of the MPDs. Imatinib is a selective inhibitor of PDGFRs, c‐Kit, Abl and Arg protein‐tyrosine kinases, as well as Bcr‐Abl, the oncogenic tyrosine kinase that causes chronic myeloid leukemia. The efficacy of imatinib in treating HES, systemic mast cell disease, chronic myelomonocytic leukemia associated with PDGFRβ fusion genes, and (to a lesser extent) PV and idiopathic myelofibrosis was reviewed from institutional experience and a review of the literature. In 3 studies that involved 11 patients with PV, 10 patients had reductions in phlebotomy with imatinib. Eight studies of 42 patients with HES indicated that 70% achieved complete hematologic remissions with imatinib. Four studies of 6 patients with MPD indicated responses with imatinib in 5 patients. Insight into the molecular pathogenesis of MPDs will improve the definitions of different disease categories and suggests that signal transduction inhibition is likely to be an increasingly important treatment option in the future. Cancer 2004. © 2004 American Cancer Society.
Hypersingular integral equation method for three‐dimensional crack problem in shear mode
Authors: Chen Y. Z. 
Published: April 2004

AbstractThis paper presents the use of the hypersingular integral equation method for solving the flat crack problem in shear mode. In the method, the crack opening displacement (COD) functions are assumed to be polynomials with several undetermined coefficients. The involved hypersingular integral can be reduced into a repeat integral in a particular polar co‐ordinate, and further integrated by a known quadrature rule. This technique considerably reduces the effort of derivation and computation to obtain the final solution. The undetermined coefficients in the COD functions are obtained from an algebraic equation. The stress intensity factors (SIF) along the boundary of the flat crack can then be easily calculated. Numerical examples are given to demonstrate the efficiency of the proposed method. Copyright 2004 John Wiley & Sons, Ltd.
A new scheme for designing the penalty factor in 3‐D penalty‐equilibrating mixed elements
Authors: Cao Yan Ping , Hu Ning , Lu Jian , Fukunaga Hisao , Yao Zhen Han 
Published: April 2004

AbstractIn this paper, a new scheme for designing the penalty factor in 3‐D penalty‐equilibrating mixed elements based on the Hu–Washizu three‐field variational functional is proposed to improve the performance of the elements when applied to beam, plate and shell structures. In order to construct this new scheme, the role played by the penalty factor is first discussed in detail by comparing it with the selective reduced factor designed by Sze for overcoming the so‐called ‘trapezoid locking’. The reason of the poor performance of the penalty‐equilibrating element for the distorted elemental geometry is investigated thoroughly. Furthermore, the penalty factor is designed to alleviate the influence of false strain/stress in elements by considering the geometrical characteristics of beam, plate and shell structures. The new scheme is applied to the penalty‐equilibrating 3‐D mixed element proposed by the present authors previously. Some challenging numerical examples are selected to demonstrate the effectiveness of the present approach. Copyright © 2004 John Wiley & Sons, Ltd.