bluuebunny/crossref_metadata_2025_split huggingface dataset:
Structure and Bonding of Zinc Antimonides: Complex Frameworks and Narrow Band Gaps
Authors: Mikhaylushkin Arkady S. , Nylén Johanna , Häussermann Ulrich 
Published: June 2005

AbstractWe investigated crystal structure relationships, phase stability and chemical bonding of the thermoelectric materials ZnSb, α‐Zn4Sb3, and β‐Zn4Sb3 by means of first principles calculations. The structures of these materials are difficult to rationalise. This is especially true for β‐Zn4Sb3 because of the presence of vacancies and interstitial atoms. We recognised rhomboid rings Zn2Sb2 as central structural building units present in all materials. Importantly, these rings enable to establish a clear relationship between disordered β‐Zn4Sb3 and ordered low‐temperature α‐Zn4Sb3. Concerning the phase stability of Zn4Sb3 we identified a peculiar situation: α‐Zn4Sb3 is metastable and β‐Zn4Sb3 can only be thermodynamically stable when its structural disorder accounts for a large entropy contribution to free energy. According to their electronic structure zinc antimonides represent heteroatomic framework structures with a modest polarity. The peculiar electronic structure of Zn/Sb systems can also be modelled by Al/Si systems. The high coordination numbers in the frameworks implies the presence of multicentre bonding. We developed a simple bonding picture for these frameworks where multicentre bonding is confined to rhomboid rings Zn2Sb2.
Solution‐ and Solid‐Phase Synthesis of Radicicol (Monorden) and Pochonin C
Authors: Barluenga Sofia , Moulin Emilie , Lopez Pilar , Winssinger Nicolas 
Published: June 2005

AbstractA modular synthesis for pochonin C and radicicol is reported. The two natural products were prepared in seven and eight steps, respectively, from three readily available fragments. Alternative syntheses of these compounds were achieved using a combination of polymer‐bound reagents and solid phase reactions. The conformation of the two natural products was studied and compared by using 2D NMR spectroscopy.
Cervimycin A–D: A Polyketide Glycoside Complex from a Cave Bacterium Can Defeat Vancomycin Resistance
Authors: Herold Kerstin , Gollmick Friedrich A. , Groth Ingrid , Roth Martin , Menzel Klaus‐Dieter , Möllmann Ute , Gräfe Udo , Hertweck Christian 
Published: June 2005

AbstractCervimycins A–D are novel polyketide glycosides with significant activity against multi‐drug‐resistant staphylococci and vancomycin‐resistant enterococci. They are produced by a strain of Streptomyces tendae, isolated from an ancient cave. The structures of the cervimycins were determined by performing extensive NMR and chemical degradation studies. All cervimycins have a common tetracyclic polyketide core that is substituted with unusual di‐ and tetrasaccharide chains, composed exclusively of trideoxysugars; however, they differ in the acetyl and carbamoyl ring substituent and in the highly unusual terminal methylmalonyl and dimethylmalonyl residues.
A polynomial algorithm for solving a general max‐min fairness problem
Authors: Tomaszewski Artur 
Published: June 2005

AbstractAn iterative algorithm of polynomial complexity is presented that solves a max‐min fairness problem which is often encountered while dealing with traffic routing or capacity allocation problems. The algorithm does not depend on any specific traffic routing problem formulation and is sufficiently general to be applied to a broad class of traffic routing and capacity allocation problems. The correctness of the algorithm and its complexity are formally proved. Copyright © 2005 AEIT.
Oncogene amplification in the proximal part of chromosome 6 in rat endometrial adenocarcinoma as revealed by combined BAC/PAC FISH, chromosome painting, zoo‐FISH, and allelotyping
Authors: Adamovic Tatjana , Trossö Fredrik , Roshani Leyla , Andersson Lars , Petersen Greta , Rajaei Saide , Helou Khalil , Levan Göran 
Published: June 2005

AbstractThe inbred BDII rat is a valuable experimental model for the genetic analysis of endometrial adenocarcinoma (EAC). One common aberration detected by comparative genomic hybridization in rat EAC was gain/amplification affecting the proximal part of rat chromosome 6 (RNO6). We applied rat and mouse chromosome painting probes onto tumor cell metaphase preparations in order to detect and characterize gross RNO6 aberrations. In addition, the RNO6q11–q16 segment was analyzed by fluorescence in situ hybridization with probes representing 12 cancer‐related genes in the region. The analysis revealed that seven tumors contained large RNO6‐derived homogeneously staining regions (HSRs) in addition to several normal or near‐normal RNO6 chromosomes. Five tumors (two of which also had HSRs) exhibited a selective increase of the RNO6q11–q16 segment, sometimes in conjunction with moderate amplification of one or a few genes. Most commonly, the amplification affected the region centered around band 6q16 and included the Mycn, Ddx1, and Rrm2 genes. A second region, centering around Slc8a1 and Xdh, also was affected by gene amplification but to a lesser extent. The aberrations in the proximal part of RNO6 were further analyzed using allelotyping of microsatellite markers in all tumors from animals that were heterozygous in the proximal RNO6 region. We could detect allelic imbalance (AI) in 12 of 20 informative tumors, 6 of which were in addition to those already analyzed by molecular cytogenetic methods as described. Our findings suggest that increase/amplification of genes in this chromosome region contribute to the development of this hormone‐dependent tumor. © 2005 Wiley‐Liss, Inc.
Familial occurrence of thymoma and autoimmune diseases with the constitutional translocation t(14;20)(q24.1;p12.3)
Authors: Nicodème Frédéric , Geffroy Sandrine , Conti Massimo , Delobel Bruno , Soenen Valérie , Grardel Nathalie , Porte Henri , Copin Marie‐Christine , Laï Jean‐Luc , Andrieux Joris 
Published: June 2005

AbstractThymomas are low‐grade epithelial cancers of the thymus whose prevalence varies between 0.1/100,000 and 0.4/100,000. Familial occurrence of thymoma is very rare. We studied a family bearing the constitutional chromosome translocation t(14;20)(q24;p12), 3 of whose members had a thymoma. In this family, among 27 patients, 11 had the translocation: 3 had thymoma and 4 others had 5 different autoimmune diseases: type 1 diabetes mellitus, Graves' disease, pernicious anemia, primitive Sjögren disease, and autoimmune pancytopenia. FISH studies allowed us to be more specific about the translocation breakpoints. The 14q24 breakpoint was in intron 5 of RAD51L1, and the 20p12 breakpoint was 100 kb telomeric to BMP2. RAD51L1 is a tumor‐suppressor gene belonging to the RAD51 family, already implicated in many tumors (uterine leiomyomas, pseudo‐Meigs syndromes, pulmonary chondroid hamartomas) and involved in recombinational repair of DNA double‐strand breaks. BMP2 belongs to the TGFβ superfamily, and the BMP2–BMP4 genes are involved in thymocyte differentiation by blocking progression from CD4−CD8− to CD4+CD8+ while maintaining a sufficient pool of immature precursors. Dysregulation of RAD51L1 and/or BMP2 may explain this familial occurrence of thymomas and autoimmune diseases. Using QRT‐PCR, we studied the expression of BMP2 in 20 sporadic thymomas and found various levels of expression that may be associated with autoimmune diseases. © 2005 Wiley‐Liss, Inc.
Nitrosamine 4‐(methylnitrosamino)‐1‐(3‐pyridyl)‐1‐butanone‐induced pulmonary adenocarcinomas in Syrian golden hamsters contain beta 2‐adrenergic receptor single‐nucleotide polymorphisms
Authors: Masi Thomas , Cekanova Maria , Walker Kindra , Bernert Heike , Majidi Mourad , Becker Jeffrey M. , Schuller Hildegard M. 
Published: June 2005

AbstractCigarette smoking contributes to the development of lung cancer throughout the world, with cases of pulmonary adenocarcinoma (PAC) the most numerous. Nitrosamine 4‐(methylnitrosamino)‐1‐(3‐pyridyl)‐1‐butanone (NNK), which is formed from nicotine, has been demonstrated to cause mutations in genes that affect cell regulation and proliferation. Moreover, NNK has been shown to interact directly with and stimulate beta adrenergic receptor (ADRB) signal transduction pathways. Our goal was to determine whether single‐nucleotide polymorphisms (SNPs) in the Adrb2 from PAC tumors were induced in golden hamsters by the injection of NNK. Here we report the cloning and sequencing of Adrb2 clones from either dissected lung tumors from NNK‐injected animals or whole‐lung tissue from water‐injected controls. Both sets of animals contained SNPs; however, we found significantly more SNPs in the Adrb2 from NNK‐injected animals than in the controls. The majority of these SNPs were novel, nonsynonymous mutations found in regions of the Adrb2 known to be involved in ligand binding, G‐protein coupling, and desensitization/down‐regulation. Our data verified the mutagenic effects of NNK as well as demonstrated that this animal model provides an outstanding way of identifying mutations not only in the Adrb2, but also in other genes that may play essential roles in the regulation and growth of pulmonary adenocarcinomas. © 2005 Wiley‐Liss, Inc.
Location and spatial profile of category‐specific regions in human extrastriate cortex
Authors: Spiridon Mona , Fischl Bruce , Kanwisher Nancy 
Published: June 2005

AbstractSubjects were scanned in a single functional MRI (fMRI) experiment that enabled us to localize cortical regions in each subject in the occipital and temporal lobes that responded significantly in a variety of contrasts: faces > objects, body parts > objects, scenes > objects, objects > scrambled objects, and moving > stationary stimuli. The resulting activation maps were coregistered across subjects using spherical surface coordinates [Fischl et al., Hum Brain Mapp 1999;8:272–284] to produce a “percentage overlap map” indicating the percentage of subjects who showed a significant response for each contrast at each point on the surface. Prominent among the overlapping activations in these contrasts were the fusiform face area (FFA), extrastriate body area (EBA), parahippocampal place area (PPA), lateral occipital complex (LOC), and MT+/V5; only a few other areas responded consistently across subjects in these contrasts. Another analysis showed that the spatial profile of the selective response drops off quite sharply outside the standard borders of the FFA and PPA (less so for the EBA and MT+/V5), indicating that these regions are not simply peaks of very broad selectivities spanning centimeters of cortex, but fairly discrete regions of cortex with distinctive functional profiles. The data also yielded a surprise that challenges our understanding of the function of area MT+: a higher response to body parts than to objects. The anatomical consistency of each of our functionally defined regions across subjects and the spatial sharpness of their activation profiles within subjects highlight the fact that these regions constitute replicable and distinctive landmarks in the functional organization of the human brain. Hum Brain Mapp, 2005. © 2005 Wiley‐Liss, Inc.
Solving the Poisson–Boltzmann equation with the specialized computer chip MD‐GRAPE‐2
Authors: Höfinger Siegfried 
Published: June 2005

AbstractThe accurate description of solvation effects is highly desirable in numerous computational chemistry applications. One widely used methodology treats the solvent as a uniform continuum (“implicit solvation”), and describes its net interaction with the solute by solving the Poisson–Boltzmann (PB) equation using the Boundary Element Method (BEM). These calculations are very time consuming using conventional computers. A new, efficient way of solving the PB equation on the special‐purpose hardware chip MDGRAPE‐2 is presented. The MDGRAPE‐2 chip was originally developed to speed up the calculation of pairwise van der Waals and electrostatic interactions. By recasting the BEM equations and applying an iterative solution procedure, a hardware‐accelerated PB solver on MDGRAPE‐2 could be implemented. The performance and reliability of the method is demonstrated on three examples ranging from small peptides to large proteins, whereby the obtained acceleration factors range from 15‐fold to up to 40‐fold with no loss of accuracy compared to the conventional approach. © 2005 Wiley Periodicals, Inc. J Comput Chem 26: 1148–1154, 2005
The end of clinical psychology as we know it? A response to Snyder and Elliott's four level matrix model
Authors: Desrochers Stephan , Halpern Diane F. , Tan Sherylle J. , Riggio Heidi R. 
Published: June 2005

AbstractC.R. Snyder and T.R. Elliott's proposed model (this issue) represents a good effort toward reexamining the premises of clinical psychology education. However, there are several concepts left underdeveloped and inadequately defined. Furthermore, their ideas for improving clinical training seem largely divorced from the model proposed. Before making propositions toward a “new clinical psychology,” clarification of the constructs and model is needed to understand how it can better educate and prepare future clinical psychologists for the demands of tomorrow's marketplaces. © 2005 Wiley Periodicals, Inc. J Clin Psychol.
Behavioural linking of stranger rapes
Authors: Santtila Pekka , Junkkila Jenny , Sandnabba N. Kenneth 
Published: June 2005

AbstractA sample of serial stranger rape cases ( n = 43) that had occurred in Finland during the years 1983–2001 were studied with the objectives being to: (a) describe the characteristics of the offenders; (b) explore the structure of serial rape; and (c) demonstrate behavioural linkage through an analysis of the offenders' crime scene behaviour using both multidimensional scaling (MDS) and discriminant function analysis (DFA). The material was content analysed with regard to the occurrence of a number of dichotomous variables. The inter‐relationships of the variables was studied using MDS. The analysis revealed two previously identified major modes of interaction with the victim: involvement and hostility. Employing MDS and DFA, it was shown that the offences of different offenders were distinguishable in terms of variation between the offences of different offenders and consistency within the offences of a single offender. Using DFA, the classification accuracy clearly exceeds that expected by chance, and 25.6% of the cases were classified without any error. The results are discussed in relation to their practical utility and previous studies. Copyright © 2005 John Wiley & Sons, Ltd.
Serial homicide: an investigation of behavioural consistency
Authors: Salfati C. Gabrielle , Bateman Alicia L. 
Published: June 2005

AbstractTo examine if serial homicide offenders are consistent across their crimes, a model was developed empirically that could be used to distinguish between crimes that were instrumental and those that were expressive. The first known three offences in each series of 69 US serial homicides committed by 23 offenders, were examined and the instrumental and expressive themes determined. Three models were then explored that test for consistency across these themes. The most liberal model was found to classify all of the offences effectively and to reveal complete consistency across the three crimes for all offenders. The implications of these results for offender profiling and further study of serial homicide are discussed. Copyright © 2005 John Wiley & Sons, Ltd.
Life story accounts of left wing terrorists in India
Authors: Sarangi Sudhanshu , Alison Laurence 
Published: June 2005

AbstractThis paper explores the life story accounts of 12 left wing terrorists in India. Narrative interviews revealed that the accounts were broadly coherent and contained similar rhetorical structures with regard to: i) images of the self (imagoes); ii) significant others (interpersonal figures); and iii) visions of the future (generativity script). Specifically, it appeared that individuals developed imagoes of poverty and oppression, identified the state structure as corrupt, and terrorist leaders as heroes of the oppressed. Further, the accounts revealed a commitment to an exploitation‐free society (generativity script) and an ideological devotion to a rhetoric that justifies extreme violence. The paper considers the possibility that such coherence is formulated around propaganda and indoctrination that is more sympathetic and harmonious with these individuals' worldview and hence has a powerful shaping process on their development. Finally, we discuss the practical implications of the findings and suggest major policy shifts in dealing with the left wing terrorist groups in India. Copyright © 2005 John Wiley & Sons, Ltd.
A classification of computer security incidents based on reported attack data
Authors: Kjaerland Maria 
Published: June 2005

AbstractPrevious studies of computer criminals have attempted to differentiate between offenders, but have not used data from the actual attacks. Drawing on theories from investigative psychology as well as information security, the current study differentiates 2755 computer security incidents using information about Method of Operation (MO), Impact, and Source Sector from reported attacks. Multivariate statistical analyses were applied on the data‐matrix of 22 variables and showed the co‐occurrences of various aspects of computer security incidents. A radex structure emerged where the high frequency variables were positioned in the centre of the data‐plot. Based on a previously developed taxonomy of cyber intrusions, the results of the analysis showed that it was possible to draw inferences about the less informative category of Objective, from information about Attacker, Tools, Access, and Results. By applying the division‐lines indicating the Objectives of Challenge/Status, Destruction, Political Gain and Financial Gain on the SSA‐plot, it was shown how the taxonomies could be further developed by taking into account the relationships between the categories. Copyright © 2005 John Wiley & Sons, Ltd.
Kit with technetium‐99m labelled antimicrobial peptide UBI 29‐41 for specific infection detection
Authors: Welling Mick M. , Korsak Agnieszka , Gorska Barbara , Oliver Patricia , Mikolajczak Renata , Balter Henia S. , Feitsma Hans I. J. , Pauwels Ernest K. J. 
Published: June 2005

AbstractThe purpose of this study was to investigate radiochemical and biological characteristics of an instant kit for the preparation of 99mTc‐labelled UBI 29‐41 for specific detection of infections. The kit is based on 99mTc‐labelling via HYNIC conjugated to the terminal amine of the peptide, producing a well‐understood labelled compound.One hour after the addition of fresh 99mTcO to the kit ITLC and HPLC reverse‐phase analysis was performed. Stability of the labelled complex was challenged and the binding to bacterial pellets was assessed. Finally, the biodistribution and accumulation in MRSA‐infected tissues were studied using scintigraphy and ex vivo countings. Data were compared to a non‐kit control method.Radiochemical analysis indicated >96% labelling, stability for 24 h and the preparation was used without purification. In vitro studies showed 41% of radioactivity was bound to bacteria. After injection into mice with a bacterial infection the site of infection was visualized within 30 min. Kit prepared 99mTc‐HYNIC‐UBI 29‐41 was rapidly (half‐life 113 min) cleared via the kidneys and urinary bladder, essentially slower than control peptide (half‐life 74 min). This slower clearance results in higher activities in blood and other tissues. Nevertheless, 99mTc‐HYNIC‐UBI 29‐41 shows favourable radiochemical characteristics and deserves further evaluation in a clinical setting. Copyright © 2005 John Wiley & Sons, Ltd.
The generation of monthly gridded datasets for a range of climatic variables over the UK
Authors: Perry Matthew , Hollis Daniel 
Published: June 2005

AbstractMonthly or annual 5 km × 5 km gridded datasets covering the UK are generated for the 1961–2000 period, for 36 climatic parameters. As well as the usual elements of temperature, rainfall, sunshine, cloud, wind speed, and pressure, derived temperature variables (such as growing‐season length, heating degree days, and heat and cold wave durations) and further precipitation variables (such as rainfall intensity, maximum consecutive dry days, and days of snow, hail and thunder) are analysed.The analysis process uses geographical information system capabilities to combine multiple regression with inverse‐distance‐weighted interpolation. Geographic and topographic factors, such as easting and northing, terrain height and shape, and urban and coastal effects, are incorporated either through normalization with regard to the 1961–90 average climate, or as independent variables in the regression. Local variations are then incorporated through the spatial interpolation of regression residuals.For each of the climatic parameters, the choice of model is based on verification statistics produced by excluding a random set of stations from the analysis for a selection of months, and comparing the observed values with the estimated values at each point. This gives some insight into the significance, direction, and seasonality of factors affecting different climate elements. It also gives a measure of the accuracy of the method at predicting values between station locations.The datasets are being used for the verification of climate modelling scenarios and are available via the Internet. © Crown Copyright 2005. Reproduced with the permission of Her Majesty's Stationery Office. Published by John Wiley & Sons, Ltd.
Mathematical Model and Parameter Estimation for Gas‐Phase Ethylene/Hexene Copolymerization With Metallocene Catalyst
Authors: Kou Bo , McAuley Kim B. , Hsu James C. C. , Bacon David W. 
Published: June 2005

AbstractSummary: Models were developed to simulate gas‐phase ethylene/hexene copolymerization using a silica‐supported (BuCp)2ZrCl2 catalyst in a semi‐batch laboratory reactor. The models are able to predict ethylene consumption rate, gas composition drift during the experimental runs, as well as number‐and weight‐average molecular weight, and short‐chain branching levels, and triad sequence distributions of copolymer removed from the reactor at the end of each run. A single‐site model was first developed, but it failed to accurately predict the molecular weight data and its distribution. Sequentially, a two‐site model was built to improve model predictions. Parameter estimability analysis was performed to guide model simplification and to ensure that the parameter estimation problem would be well conditioned. After model simplification, which reduced the number of unknown parameters from 55 to 37, the parameters were estimated and good fitting of most experimental data was obtained. The simplified two‐site model was validated using the data from four extra experimental runs, which were not employed in the parameter estimation process. Most of the model predictions fall within the 95% confidence intervals of the experimental data.Model validation of hexene concentration. (The lines are model predictions and the solid diamonds with error bars are experimental data.)magnified imageModel validation of hexene concentration. (The lines are model predictions and the solid diamonds with error bars are experimental data.)