bluuebunny/crossref_metadata_2025_split huggingface dataset:
Inter‐ and Intramolecular Electron Transfer in Modified Azurin Dimers
Authors: de Jongh Thyra E. , Hoffmann Maren , Einsle Oliver , Cavazzini Davide , Rossi Gian‐Luigi , Ubbink Marcellus , Canters Gerard W. 
Published: May 2007

AbstractA dimer of N42C azurin (P. aeruginosa), formed by intermolecular disulfide bond formation between the introduced surface‐exposed cysteine residues, was previously shown to exhibit low rates of intramolecular electron self‐exchange. The work presented here aims to render the construct sensitive to pH by the introduction of an additional surface mutation (M64E). The structural and mechanistic effects of ionisable residues in the hydrophobic patch were analysed as a function of pH. A crystal structure of the dimer at pH = 3.1, solved to 2.3 Å resolution, displays an orientation distinct from other known azurin complexes. The dimer exhibits slow intramolecular self‐exchange at pH* = 4.5 (keseintra ≈ 25 s–1), in line with the Cu–Cu distance of 20.5 Å observed in the crystal structure of the dimer. The intermolecular electron self‐exchange rate constant amounts to kinter = (1.8 ± 0.1) ×104 M–1 s–1. Thus, at protein concentrations less than 1 mm, the intramolecular process dominates the electron self‐exchange. A change from low to high pH results in a slowing down of the electron‐exchange processes. A partitioning between intra‐ and intermolecular exchange proved impossible at low pH due to the limited precision of the experimental data. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)
Conformational Analysis of One‐Dimensional Coordination Polymers Based on [Cp2Cr2(CO)4(μ,η2‐P2)] by Solid‐State Multinuclear NMR Spectroscopy and Density Functional Calculations
Authors: Scheer Manfred , Gregoriades Laurence J. , Zabel Manfred , Sierka Marek , Zhang Long , Eckert Hellmut 
Published: May 2007

AbstractReaction of the complex [Cp2Cr2(CO)4(μ,η2‐P2)] (2) with copper(I) halides leads to the quantitative formation of the new one‐dimensional (1D) linear polymers [CuX{Cp2Cr2(CO)4(μ,η2:η1:η1‐P2)}]n [X = Cl (3), Br (4), I (5)]. Polymers 3–5 are the first examples of supramolecular aggregates incorporating 2 as a connecting moiety. The solid‐state structures of 3–5 are compared and their remarkable influence on the respective solid‐state 31P magic angle spinning (MAS) NMR spectra is interpreted with the help of density functional theory (DFT) calculations, which suggest that the 31P chemical shifts are extremely sensitive to the position of the phosphorus atoms with respect to the cones of anisotropy of the carbonyl ligands. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)
Synthesis, Spectroscopic and Structural Systematics of Complexes of Germanium(IV) Halides (GeX4, X = F, Cl, Br or I) with Phosphane Oxides and Related Oxygen Donor Ligands
Authors: Cheng Fei , Davis Martin F. , Hector Andrew L. , Levason William , Reid Gillian , Webster Michael , Zhang Wenjian 
Published: May 2007

AbstractThe first series of phosphane oxide complexes of germanium(IV) halides have been prepared, including trans‐[GeF4(R3PO)2] (R = Me, Et or Ph), trans‐[GeCl4(Et3PO)2], fac‐[GeCl3(Me3PO)3]2[GeCl6] and cis‐[GeX2(Me3PO)4]X2 (X = Cl or Br) and characterised by IR and multinuclear NMR (1H, 19F{1H} and 31P{1H}) spectroscopy. Crystal structures of all the above (except trans‐[GeCl4(Et3PO)2]) are described. Remarkably, under mild conditions Me3PO displaces halide ligands from GeX4 (X = Cl, Br) to form the cationic species above. Ph3AsO forms trans‐[GeF4(Ph3AsO)2], but reaction of Ph3AsO or Me3AsO with GeCl4 leads to the corresponding R3AsCl2. The complexes [GeF4(MeCN)2], [GeF4(thf)2] and [GeF4(MeOCH2CH2OMe)] are also described and the relative Lewis acidities of GeX4 established. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)
Development of an integrated approach for evaluation of 2‐D gel image analysis: Impact of multiple proteins in single spots on comparative proteomics in conventional 2‐D gel/MALDI workflow
Authors: Yang Yong , Thannhauser Theodore W. , Li Li , Zhang Sheng 
Published: May 2007

AbstractWith 2‐D gel mapping, it is often observed that essentially identical proteins migrate to different positions in the gel, while some seemingly well‐resolved protein spots consist of multiple proteins. These observations can undermine the validity of gel‐based comparative proteomic studies. Through a comparison of protein identifications using direct MALDI‐TOF/TOF and LC‐ESI‐MS/MS analyses of 2‐D gel separated proteins from cauliflower florets, we have developed an integrated approach to improve the accuracy and reliability of comparative 2‐D electrophoresis. From 46 spots of interest, we identified 51 proteins by MALDI‐TOF/TOF analysis and 108 proteins by LC‐ESI‐MS/MS. The results indicate that 75% of the analyzed spots contained multiple proteins. A comparison of hit rank for protein identifications showed that 37 out of 43 spots identified by MALDI matched the top‐ranked hit from the ESI‐MS/MS. By using the exponentially modified protein abundance index (emPAI) to determine the abundance of the individual component proteins for the spots containing multiple proteins, we found that the top‐hit proteins from 40 out of 43 spots identified by MALDI matched the most abundant proteins determined by LC‐MS/MS. Furthermore, our 2‐D‐GeLC‐MS/MS results show that the top‐hit proteins in 44 identified spots contributed on average 81% of the spots' staining intensity. This is the first quantitative measurement of the average rate of false assignment for direct MALDI analysis of 2‐D gel spots using a new integrated workflow (2‐D gel imaging, “2‐D GeLC‐MS/MS”, and emPAI analysis). Here, the new approach is proposed as an alternative to traditional gel‐based quantitative proteomics studies.
Global analysis of dynamic changes in lipid raft proteins during T‐cell activation
Authors: Kobayashi Michimoto , Katagiri Takuya , Kosako Hidetaka , Iida Naoyuki , Hattori Seisuke 
Published: May 2007

AbstractLipid rafts are considered as specialized microdomains within the plasma membrane with unique lipid compositions different from surrounding membranes. Following T‐cell receptor (TCR) stimulation, lipid rafts assemble in T‐cell/antigen‐presenting cell (APC) contact site known as the immunological synapse, inner leaflets of which serve as activation or docking sites for downstream signaling components. To understand the signaling events occurring in lipid rafts, we globally analyzed dynamic changes in lipid raft proteins during TCR/CD28 costimulation using 2‐D fluorescence difference gel electrophoresis. We detected multiple spots whose intensities were enhanced after costimulation, and identified proteins in these spots by PMF. Identified proteins include Src family tyrosine kinases, tyrosine phosphatase, phosphatidylinositol 3‐kinase (PI3‐kinase), actin‐binding proteins, and regulators for small GTPases. Of particular interest, a number of pleckstrin homology (PH) domain‐containing proteins were identified. Biochemical and histochemical analyses confirmed the translocation of these proteins from cytosol to lipid rafts. We also demonstrated that these proteins assembled at the T‐cell/APC interface. These results indicate the efficacy of our system to systematically analyze dynamics of lipid raft proteins during extracellular stimulation.
Separable approximations of space‐time covariance matrices
Authors: Genton Marc G. 
Published: May 2007

AbstractStatistical modeling of space‐time data has often been based on separable covariance functions, that is, covariances that can be written as a product of a purely spatial covariance and a purely temporal covariance. The main reason is that the structure of separable covariances dramatically reduces the number of parameters in the covariance matrix and thus facilitates computational procedures for large space‐time data sets. In this paper, we discuss separable approximations of nonseparable space‐time covariance matrices. Specifically, we describe the nearest Kronecker product approximation, in the Frobenius norm, of a space‐time covariance matrix. The algorithm is simple to implement and the solution preserves properties of the space‐time covariance matrix, such as symmetry, positive definiteness, and other structures. The separable approximation allows for fast kriging of large space‐time data sets. We present several illustrative examples based on an application to data of Irish wind speeds, showing that only small differences in prediction error arise while computational savings for large data sets can be obtained. Copyright © 2007 John Wiley & Sons, Ltd.
Simple statistical structure in time series for daily air flow characteristics
Authors: Post Piia , Kärner Olavi 
Published: May 2007

AbstractThe structure function is used for quantifying of non‐stationarity in time series for certain daily air flow characteristics (DAFC). The National Center for Environmental Prediction/National Center for Atmospheric Research (NCEP/NCAR) reanalysis 30 year (1968–97) dataset given over 5° × 10° latitude longitude grid is used to calculate the DAFC series for the Baltic Sea region. The quantification on the basis of the Hurst exponent H enables us to discriminate between the strong synoptic scale non‐stationarity and a mild large‐scale one. Presented examples show that the change of H is accompanied by a change of the distribution for the series' increments. Long‐range increments for various DAFC appear to be approximately normally distributed with approximately constant variance independent of the increment length over a remarkably wide range. The property might be useful in describing a long‐range variability of the air flow characteristics. Copyright © 2007 John Wiley & Sons, Ltd.
A seismic retrofit method by connecting viscous dampers for microelectronics factories
Authors: Hwang Jenn‐Shin , Wang Shiang‐Jung , Huang Yin‐Nan , Chen Jay‐Fu 
Published: May 2007

AbstractThe implementation of viscous dampers to microelectronics factories has been previously proved not to affect the micro‐vibration of the factories in operation so that the vibration‐sensitive manufacturing process will not be interfered. Therefore, a seismic retrofit strategy which employs the viscous dampers installed in between the exterior and interior structures of the ‘fab’ structure is proposed in the study. The design formulas corresponding to the proposed retrofit method are derived using the non‐proportional damping theory. Based on the study, it is found that the added damping ratio to the fab structure depends greatly on the frequency ratio of the two structures in addition to the damping coefficients of the added dampers. Outside the bandwidth of the frequency ratio in which the added damping ratio is very sensitive to the variation of the frequency ratio, the added damping ratio can be well captured using the classical damping theory. Copyright © 2007 John Wiley & Sons, Ltd.
Simplified probabilistic seismic performance assessment of plan‐asymmetric buildings
Authors: Dolšek Matjaž , Fajfar Peter 
Published: May 2007

AbstractA relatively simple approach for the probabilistic seismic performance assessment of plan‐asymmetric structures has been proposed. It is based on the PEER probabilistic framework, in which the most demanding part, i.e. the incremental dynamic analysis (IDA), is replaced by the much simpler Incremental N2 (IN2) analysis. Predetermined default values for dispersion measures are needed for the practical implementation of this approach, which can be used for the analysis of plan‐asymmetric buildings requiring a 3D structural model. In this paper, this simplified approach is summarized. Its application is demonstrated by means of an example of a three‐storey reinforced concrete frame (SPEAR) building. The results are compared with the results of a more accurate approach, based on IDA. The test example demonstrates the viability of the proposed approach. Copyright © 2007 John Wiley & Sons, Ltd.
Kinetic meshless method for compressible flows
Authors: Praveen C. , Deshpande S. M. 
Published: May 2007

AbstractWe present a grid‐free or meshless approximation called the kinetic meshless method (KMM), for the numerical solution of hyperbolic conservation laws that can be obtained by taking moments of a Boltzmann‐type transport equation. The meshless formulation requires the domain discretization to have very little topological information; a distribution of points in the domain together with local connectivity information is sufficient. For each node, the connectivity consists of a set of nearby nodes which are used to evaluate the spatial derivatives appearing in the conservation law. The derivatives are obtained using a modified form of the least‐squares approximation. The method is applied to the Euler equations for inviscid flow and results are presented for some 2‐D problems. The ability of the new scheme to accurately compute inviscid flows is clearly demonstrated, including good shock capturing ability. Comparisons with other grid‐free methods are made showing some advantages of the current approach. Copyright © 2007 John Wiley & Sons, Ltd.
Ascertainment correction for Markov chain Monte Carlo segregation and linkage analysis of a quantitative trait
Authors: Ma Jianzhong , Amos Christopher I. , Warwick Daw E. 
Published: May 2007

AbstractAlthough extended pedigrees are often sampled through probands with extreme levels of a quantitative trait, Markov chain Monte Carlo (MCMC) methods for segregation and linkage analysis have not been able to perform ascertainment corrections. Further, the extent to which ascertainment of pedigrees leads to biases in the estimation of segregation and linkage parameters has not been previously studied for MCMC procedures. In this paper, we studied these issues with a Bayesian MCMC approach for joint segregation and linkage analysis, as implemented in the package Loki. We first simulated pedigrees ascertained through individuals with extreme values of a quantitative trait in spirit of the sequential sampling theory of Cannings and Thompson [Cannings and Thompson [1977] Clin. Genet. 12:208–212]. Using our simulated data, we detected no bias in estimates of the trait locus location. However, in addition to allele frequencies, when the ascertainment threshold was higher than or close to the true value of the highest genotypic mean, bias was also found in the estimation of this parameter. When there were multiple trait loci, this bias destroyed the additivity of the effects of the trait loci, and caused biases in the estimation all genotypic means when a purely additive model was used for analyzing the data. To account for pedigree ascertainment with sequential sampling, we developed a Bayesian ascertainment approach and implemented Metropolis‐Hastings updates in the MCMC samplers used in Loki. Ascertainment correction greatly reduced biases in parameter estimates. Our method is designed for multiple, but a fixed number of trait loci. Genet. Epidemiol. 2007. © 2007 Wiley‐Liss, Inc.
Incorporating covariates in mapping heterogeneous traits: a hierarchical model using empirical Bayes estimation
Authors: Biswas Swati , Lin Shili 
Published: May 2007

AbstractComplex genetic traits are inherently heterogeneous, i.e., they may be caused by different genes, or non‐genetic factors, in different individuals. So, for mapping genes responsible for these diseases using linkage analysis, heterogeneity must be accounted for in the model. Heterogeneity across different families can be modeled using a mixture distribution by letting each family have its own heterogeneity parameter denoting the probability that its disease‐causing gene is linked to the marker map under consideration. A substantial gain in power is expected if covariates that can discriminate between the families of linked and unlinked types are incorporated in this modeling framework. To this end, we propose a hierarchical Bayesian model, in which the families are grouped according to various (categorized) levels of covariate(s). The heterogeneity parameters of families within each group are assigned a common prior, whose parameters are further assigned hyper‐priors. The hyper‐parameters are obtained by utilizing the empirical Bayes estimates. We also address related issues such as evaluating whether the covariate(s) under consideration are informative and grouping of families. We compare the proposed approach with one that does not utilize covariates and show that our approach leads to considerable gains in power to detect linkage and in precision of interval estimates through various simulation scenarios. An application to the asthma datasets of Genetic Analysis Workshop 12 also illustrates this gain in a real data analysis. Additionally, we compare the performances of microsatellite markers and single nucleotide polymorphisms for our approach and find that the latter clearly outperforms the former. Genet. Epidemiol. 2007. © 2007 Wiley‐Liss, Inc.
Cost analysis as a management tool for improving the efficiency of primary care: Some examples from Java
Authors: Berman Peter 
Published: May 2007

AbstractHealth programs in developing countries increasingly face limited or even reduced budgets. More and better services might be produced from these resources by improving efficiency through better management and program design. Cost analysis at individual health units can help identify sources of inefficiency, and provide guidance to managers as to where they can achieve important gains in productivity. This paper presents several examples from health centers and sub‐centers in rural Java, Indonesia, showing how inefficiencies in staffing patterns, personnel management, and drug management can affect cost‐efficiency. Routine analysis of cost data could provide the basis for management incentives to local health units to increase both outputs and quality of care.
The role of non‐governmental organizations and the private sector in the provision of health care in developing countries
Authors: Green Andrew 
Published: May 2007

AbstractA major component of total hzalth care in many developing countries is that provided by organizations outside the state sector. Analysis of the relationships between the state and non‐state sectors and explicit government policies towards the non‐state sector have, however, often been neglected. Within many developing countries, there is heterogeneity rather than homogeneity within the non‐state sector, making the task of developing consistent and workable policies difficult. In order for such policies to be developed, a clear understanding of the characteristics and roles of the various non‐governmental and private health care providers is needed. This, in turn, requires the development of analytical tools and evaluative criteria. This article outlines and discusses issues requiring consideration in the formulation of policies, and sets a preliminary agenda for research action.
Consumer payment patterns for primary health care services in low‐income communities of Rio De Janeiro: Implications for designing service financing schemes
Authors: Lassner Karen Johnson , Parker Barnett R. 
Published: May 2007

AbstractPrimary health care (PHC) services are now recognized as a mainstay of development in low‐income regions of the world. Yet, in many of these areas, economic conditions that include a burgeoning international debt, precipitous drops in the prices of raw materials, expanding population bases, and faltering currency rates, make the effective financing of PHC services an issue requiring the most immediate attention.A potentially valuable source of assistance in such endeavors is data on consumers' payment patterns for PHC services, and on socioeconomic conditions within their communities. The Centro de Pesquisas de Assistěncia Integrada à Mulher e à Criança (CPAIMC), the principal private source of PHC in Rio de Janeiro, has collected these type of data for nine low‐income communities (LICs) within the Greater Rio de Janeiro Metropolitan Region. The current paper interfaces these data with previously developed solutions to address the problem of financing PHC services within the nine LICs. The solutions were recommended by a methodology developed and implemented by two of the authors. Results indicate that the consumer payment pattern and socioeconomic data support the methodology's recommendations and, more importantly, may be used to improve the effectiveness of those recommendations. Examples are provided and implications discussed.
Equity in health care; Experiences from Sweden
Authors: Borcenhammer Edgar 
Published: May 2007

AbstractMortality figures for Sweden, and for expectation of life, match and in many cases better those of other developed countries of the world. At the same time, there is no doubt that there are many inequalities existing in Sweden which such figures disguise. The ideals of achieving good health, and care on equal terms, for the whole population are fine, but the realities are some distance from their achievement. Care on equal terms must be a urgent political goal: but, the contents of that goal must be specified more clearly. Despite all the good already achieved, the article suggests some of the key areas in which political action and rethinking are now necessary.
Selective intervention in primary health care: Planning and practical implications in Nigeria
Authors: Egwu Igb O. N. 
Published: May 2007

AbstractThe global goal of Health‐For‐All is an ideal: yet, its planning and implementation could be enhanced through the application of the concept of selective primary health care. The strategy advocates the selection of certain priority components of primary health care (PHC) as entry‐points. This would match with the sub‐objectives of removing technological, economic and developmental constraints. A model which illustrates the three levels of prevention — primary, secondary, and tertiary, is offered. The application of the model to Primary Health Care, coupled with practical examples in the field, and their relevance to health development in Nigeria, are examined.
Escaping from the dual organization: Physician self‐governance
Authors: Tap Henk J. , Schut Frederik T. 
Published: May 2007

AbstractThis article discusses a way of coping, in a time of limited resources, with the dual organization problem in hospitals. First, the historical roots of the dual organization problem are analysed. It is ascertained that the power structure within the hospital crucially depends on the socioeconomic circumstances and the state of medical knowledge. Since the health care systems of most industrialized countries are in transition from a stage of rapid expansion into a stage of consolidation, new problems arise which cannot be adequately handled within the context of the dual organization structure. The crux of the dual organization problem lies in the separation of the related responsibilities for resource allocation and patient care. Most proposals to solve this problem try to develop models of shared authority, which may be elegant in theory but often raise tremendous problems when implemented in practice. A straightforward solution would be the reunion of both responsibilities under one head, the physician‐executive. It is argued that in a situation of limited funds for medical care, patients, physicians as well as administrators will be best off when physicians become primarily responsible for the resource allocation within the hospital. Some empirical evidence for this supposition is discussed. Finally, attention is paid to the prerequisites for, and implementation of, physician self‐governance.