bluuebunny/crossref_metadata_2025_split huggingface dataset:
Density functional studies of LiN and LiN+ (N = 2–30) clusters: Structure, binding and charge distribution
Authors: Goel Neetu , Gautam Seema , Dharamvir Keya 
Published: March 2011

AbstractDensity functional calculations using B3LYP/6‐311G method have been carried out for small to medium‐sized lithium clusters (LiN, N = 2–30). The optimized geometries of neutral and singly charged clusters, their binding energies, ionization potential, electron affinity, chemical potential, softness, hardness, highest occupied molecular orbital and lowest unoccupied molecular orbital (HOMO–LUMO) gap, and static dipole polarizability have been investigated systematically. In addition, we study the distribution of partial charges in detail using natural population analysis (NPA) in small‐sized clusters (LiN, N = 2–10), both neutral and cationic, and demonstrate the correlation between symmetry and charge. Uniform distribution of charges in cationic clusters confirms them to be energetically more favorable than the neutral counterparts. Whenever possible, results have been compared with available data. An excellent agreement in every case supports new results as reliable predictions. A careful study of optimized geometries shows that Li9 is derivable from bulk Li structure, i.e., body centered cubic cell, and higher clusters have optimized shapes derived from this. Further, the turnover form two to three dimensional structure occurs at cluster size N = 6. The quantity α1/3 (α = polarizability) per atom is found to be broadly proportional to softness (per atom) as well as inverse ionization potential (per atom). The present work forms a sound basis for further study of large‐sized clusters as well as other atomic clusters. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012
EVALUATION OF RIPARIAN HABITAT RESTORATION IN A LOWLAND RIVER
Authors: Mouton A. M. , Buysse D. , Stevens M. , van den Neucker T. , Coeck J. 
Published: March 2011

ABSTRACTFor many years, navigable lowland rivers have been embanked artificially or suffered from substantial shipping wave action, leading to habitat degradation. Recently, riparian habitats were restored by creating foreshores and spawning grounds in the river Yser, a lowland river in Flanders, Belgium. The aim of this paper was to evaluate the role of these restored habitats for spawning and nursery of juvenile fish. To cover a wide range of anthropogenic disruption, four riparian mesohabitat types were selected and compared, ranging from semi‐natural over artificial spawning grounds and foreshores to artificial embankments. Juvenile fish were subjected to sampling by using electrofishing between June and September 2009 at different microhabitats located in five sites of each riparian mesohabitat type. Juvenile fish strongly preferred natural riparian habitats, whereas artificial embankments showed the lowest species richness, abundance and functional organization of juvenile fish species. Restored riparian habitats appeared to be an appropriate alternative for artificial embankments in navigable lowland rivers but still score significantly less than natural habitats. Juvenile fish avoided bare microhabitats but did not prefer any other microhabitat type (reed, woody or grassy vegetation), emphasizing the importance of microhabitat diversity. This paper provides valuable insights into riparian habitat restoration to river managers and stakeholders. Copyright © 2011 John Wiley & Sons, Ltd.
Inflammatory cytokine gene expression in THP‐1 cells exposed to Stachybotrys chartarum and Aspergillus versicolor
Authors: Pei Ruoting , Gunsch Claudia K. 
Published: March 2011

AbstractVery little is known about the mechanisms that occur in human cells upon exposure to fungi as well as their mycotoxins. A better understanding of toxin‐regulated gene expression would be helpful to identify safe levels of exposure and could eventually be the basis for establishing guidelines for remediation scenarios following a water intrusion event. In this research, cytokine mRNA expression patterns were investigated in the human monocytic THP‐1 cell line exposed to fungal extracts of various fragment sizes obtained from Stachybotrys chartarum RTI 5802 and/or Aspergillus versicolor RTI 3843, two common and well‐studied mycotoxin producing fungi. Cytokine mRNA expression was generally upregulated 2–10 times following a 24 h exposure to fungal extracts. Expression of the proinflammatory interleukin‐1β, interleukin‐8, and tumor necrosis factor‐α genes increased while the anti‐inflammatory gene interleukin‐10 also increased albeit at very low level, suggesting that negative feedback regulation mechanism of production of proinflammatory cytokines initiated upon 24 h of incubation. In addition, submicron size extracts of A. versicolor caused significant death of THP‐1 cells, whereas extracts of S. chartarum caused no cell death while the mixture of the two fungi had an intermediate effect. There was no general correlation between gene expression and fragment sizes, which suggests that all submicron fragments may contribute to inflammatory response. © 2011 Wiley Periodicals, Inc. Environ Toxicol, 2013.
Pharmacokinetics
Authors: Bonate Peter L. 
Published: March 2011

AbstractPharmacokinetics is the study of the absorption, distribution, metabolism, and excretion of drugs. Simply put, pharmacokinetics is what the body does to the drug, which is opposed to pharmacodynamics, which is what the drug does to the body. This review will introduce pharmacokinetics as a science showing how biochemistry, biology, pharmacology, and physiology interact to explain how a drug ‘works’. Pharmacokinetics is becoming increasingly quantitative with population pharmacokinetics–pharmacodynamics, which uses nonlinear mixed effects model methodology, becoming more and more commonplace and acting as the core to model‐based drug development. This review will show how statistics is becoming increasingly more important in pharmacokinetic analysis and provide an introduction to statistical analysis of pharmacokinetic data. WIREs Comp Stat 2011 3 332–342 DOI: 10.1002/wics.153This article is categorized under:

Applications of Computational Statistics > Computational and Molecular Biology
Weibull distributions
Authors: Lai C. D. , Murthy D. N. P. , Xie M. 
Published: March 2011

AbstractThe basic Weibull distribution is considered the most fundamental and basic lifetime distribution. Various extensions of the Weibull distribution have been proposed since the 1970s and are useful in the modeling of complex lifetime data that are beyond the capability of the basic Weibull. This article reviews the properties of the basic Weibull distribution and lists the various extensions. It describes the use of Weibull probability plots as a tool for model selection and discusses the parameter estimation and model validation. It concludes with some topics for future research. WIREs Comp Stat 2011 3 282–287 DOI: 10.1002/wics.157This article is categorized under:

Statistical Models > Model Selection
QSAR modeling of nanomaterials
Authors: Burello Enrico , Worth Andrew P. 
Published: March 2011

AbstractA thorough understanding of the relationships between the physicochemical properties and the behavior of nanomaterials in biological systems is mandatory for designing safe and efficacious nanomedicines. Quantitative structure‐activity relationship (QSAR) methods help to establish such relationships, although their application to model the behavior of nanomaterials requires new ideas and applications to account for the novel properties of this class of compounds. This review presents and discusses a number of recent inspiring applications of QSAR modeling and descriptors for nanomaterials with a focus on approaches that attempt to describe the interactions that take place at the nano/bio‐interface. The paradigm shift from classic to nano‐QSAR currently relies on both theoretically and experimentally derived descriptors, and the solutions adopted for modeling are diverse, mirroring the structural and behavioral heterogeneity of nanomaterials. Research should focus on both aspects of a QSAR study: the generation of nanospecific theoretical descriptors and experimental test data. WIREs Nanomed Nanobiotechnol 2011 3 298–306 DOI: 10.1002/wnan.137This article is categorized under:

Nanotechnology Approaches to Biology > Nanoscale Systems in Biology
Toxicology and Regulatory Issues in Nanomedicine > Toxicology of Nanomaterials
Characterization of paternity relationships in the mole rat Spalax ehrenbergi by microsatellite genotyping
Authors: Malik Assaf , Frenkel Zeev , Hernandez Alvaro , Band Mark , Nevo Eviatar , Avivi Aaron 
Published: March 2011

AbstractSpalax ehrenbergi is a species complex of blind subterranean rodents distributed along the east Mediterranean region. We studied genetic relationships within and between S. ehrenbergi sib families using microsatellite genotyping. The upper‐bound level of multiple‐paternity rate in litters was estimated using a simulation model of breeding process. Our results show that the upper bound of multiple paternity in the studied population of S. ehrenbergi is <30% (P value 2.9%), with no detected cases of multiple paternity. Our analytical model was specifically designed for a situation in which the sibling identities are known but genetic data about their parents is unavailable. The genetic similarities between groups of individuals were also tested, and it was found that the distance between breeding nests is a factor influencing the genetic similarity between litters found in the nests.
Open fractures of the femur in children: Analysis of various treatment methods
Authors: Allison Patrick , Dahan-Oliel Noémi , Jando Victor T. , Yang Stephen Su , Hamdy Reggie C. 
Published: March 2011

Purpose To describe the demographic and clinical characteristics of children who presented with open femur fractures. Methods A retrospective chart review of all children treated for open femur fractures at the McGill University Health Center between 1980 and 2009 was conducted. Thirty-seven patients (28 males and 9 females) were identified. Union was determined clinically by the absence of pain, tenderness to palpation and crepitus with motion. Complications were reported. Results The mean age of the patients was 11.5 years (range 2.8–18.1 years). The mechanism of injury involved motor vehicle-related injuries in 70% of cases. There were 13 Grade I, 15 Grade II and 9 Grade III fractures. The treatment involved traction and hip spica in 11 patients, external fixator in nine patients, intramedullary nailing in seven patients, open reduction and internal fixation in six patients, and traction and an ischial weight bearing brace in four patients. Average time to union was 5.1 months (range 1.5–14.4 months). Infections occurred in ten patients, nine had delayed unions, two developed malunions, four had a refracture and four patients developed a limb length discrepancy >2 cm. Conclusions Open fractures of the femur are often accompanied by associated injuries, indicating the importance of early and comprehensive treatment. Treatment may include hip spica application in school-age children and solid intramedullary nails in adolescents. In children with multiple injuries, specifically those with higher fracture grades, treatment with an external fixator provides immediate stability of the fracture and allows early mobilization and ease of management of associated injuries.
Revisiting the composition puzzles of the household portfolio: New evidence
Authors: Jin Fangyi 
Published: March 2011

AbstractThis paper presents new evidence which contradicts the existence of the portfolio composition puzzles concerning household finance: portfolio risk increases empirically with age and wealth which contradicts Merton's (1971) solution. The puzzles cause serious problems when assessing the classical theoretical models that have been developed to rationalize households' portfolio choices. This paper investigates the 2005 Panel Study of Income Dynamics (PSID) data and shows that, when the household portfolio includes real estate and private business and allows for leverage, the portfolio risk for young and low‐wealth households is in general higher than that in older and richer households, which is consistent with the predictions of classical models.
Evolutionary Transients in the Rice Transcriptome
Authors: Wang Jun , Zhang Jianguo , Li Ruiqiang , Zheng Hongkun , Li Jun , Zhang Yong , Li Heng , Ni Peixiang , Li Songgang , Li Shengting , Wang Jingqiang , Liu Dongyuan , McDermott Jason , Samudrala Ram , Liu Siqi , Wang Jian , Yang Huanming , Yu Jun , Wong Gane Ka-Shu 
Published: March 2011

Abstract
In the canonical version of evolution by gene duplication, one copy is kept unaltered while the other is free to evolve. This process of evolutionary experimentation can persist for millions of years. Since it is so short lived in comparison to the lifetime of the core genes that make up the majority of most genomes, a substantial fraction of the genome and the transcriptome may—in principle—be attributable to what we will refer to as “evolutionary transients”, referring here to both the process and the genes that have gone or are undergoing this process. Using the rice gene set as a test case, we argue that this phenomenon goes a long way towards explaining why there are so many more rice genes than Arabidopsis genes, and why most excess rice genes show low similarity to eudicots.
Jackknife and Bootstrap Tests of the Composition Vector Trees
Authors: Zuo Guanghong , Xu Zhao , Yu Hongjie , Hao Bailin 
Published: March 2011

Abstract
Composition vector trees (CVTrees) are inferred from whole-genome data by an alignment-free and parameter-free method. The agreement of these trees with the corresponding taxonomy provides an objective justification of the inferred phylogeny. In this work, we show the stability and self-consistency of CVTrees by performing bootstrap and jackknife re-sampling tests adapted to this alignment-free approach. Our ultimate goal is to advocate the viewpoint that time-consuming statistical re-sampling tests can be avoided at all in using this alignment-free approach. Agreement with taxonomy should be taken as a major criterion to estimate prokaryotic phylogenetic trees.
Poly-functionality of the preverbal “acquire” in the Nanning Yue dialect of Chinese: an areal perspective
Authors: Bit-Chee Kwok , Chin Andy C. , Tsou Benjamin K. 
Published: March 2011

AbstractThis paper aims to explore the origin and to reconstruct the path of the development of a preverbal element, glossed as ACQ here, in the Nanning Yue dialect (NY) spoken in the Guangxi Zhuang Autonomous Region in south-western China. Apart from being a full verb meaning “acquire”, this morpheme can also appear in preverbal and post-verbal positions, expressing different modalities. It is argued that the preverbal ACQ in Early Cantonese (i.e. the ancestral language of modern Cantonese spoken in the Pearl River Delta as well as NY) is relatively non-productive, and this leads us to consider that the emergence of this peculiar grammatical element in modern NY might involve external factors. One possible such factor is language contact. Specifically, we argue that the new readings derived from the preverbal ACQ in NY were transferred from Zhuang, the most common non-Sinitic language of the Tai-Kadai family in Guangxi, by contact-induced interference.
Together but separate: How Muslim scholars conceived of religious plurality in South Asia in the seventeenth century
Authors: Khalfoui Mouez 
Published: March 2011

AbstractTheAl-Fatāwā al-Hindiyya Al-ʿĀlamjīriyyais a compendium of Islamic Ḥanafi law. It was written in South Asia during the second half of the seventeenth century with the goal of filling the gap between local social reality and Islamic legal theory. In order to establish an authoritative ruling, the authors compared the views of Central Asian scholars on Ḥanafi law, like those from Balakh and Bukhārā, with the opinions held by the Iraqi scholars, in particular Abū Ḥanīfa and his two disciples. This paper argues that the South Asian scholars shared more similarities with their Iraqi colleagues than with the Central Asian branch of the Ḥanafi school of law, although the latter were closer to them chronologically than the Iraqi scholars. Furthermore, the South Asian scholars' “permissive” point of view regarding non-Muslim residents may be ascribed to the pressure of the social reality in South Asia, which pushed them to search for a compromise between the population's ruling Muslim minority and the non-Muslim majority.
Economic Change in South-West Ireland, 1960–2009
Authors: STEAD DAVID R. 
Published: March 2011

AbstractThis article reflects on the striking economic changes recently experienced in a part of peripheral south-west rural Ireland. In 1960, west Cork's economy was largely dependent on low-productivity agriculture and was undergoing long term decline. Unexpectedly the region began to be revitalised from the turn of the 1990s, reflected in a rapid reversal of chronic depopulation and growth of employment in the service sector. Important to this process was the area's ability to capitalise on several familiar national and global socioeconomic changes, including the ‘Celtic tiger’ macroeconomic boom and the rise of counter-urbanisation and rural-urban commuting. A pioneering regional brand network has been one notable local initiative. However west Cork's historic east/west division in affluence persists, and the adverse impacts of the national economic downturn during 2007–9 highlight that the fortunes of the area are somewhat fragile and still linked to those of the macroeconomy.
Lattice Rectification in Atom Probe Tomography: Toward True Three-Dimensional Atomic Microscopy
Authors: Moody Michael P. , Gault Baptiste , Stephenson Leigh T. , Marceau Ross K.W. , Powles Rebecca C. , Ceguerra Anna V. , Breen Andrew J. , Ringer Simon P. 
Published: March 2011

AbstractAtom probe tomography (APT) represents a significant step toward atomic resolution microscopy, analytically imaging individual atoms with highly accurate, though imperfect, chemical identity and three-dimensional (3D) positional information. Here, a technique to retrieve crystallographic information from raw APT data and restore the lattice-specific atomic configuration of the original specimen is presented. This lattice rectification technique has been applied to a pure metal, W, and then to the analysis of a multicomponent Al alloy. Significantly, the atoms are located to their true lattice sites not by an averaging, but by triangulation of each particular atom detected in the 3D atom-by-atom reconstruction. Lattice rectification of raw APT reconstruction provides unprecedented detail as to the fundamental solute hierarchy of the solid solution. Atomic clustering has been recognized as important in affecting alloy behavior, such as for the Al-1.1Cu-1.7Mg (at. %) investigated here, which exhibits a remarkable rapid hardening reaction during the early stages of aging, linked to clustering of solutes. The technique has enabled lattice-site and species-specific radial distribution functions, nearest-neighbor analyses, and short-range order parameters, and we demonstrate a characterization of solute-clustering with unmatched sensitivity and precision.
Physical layer design, link budget analysis, and digital baseband implementation for 60 GHz short-range applications
Authors: Krone Stefan , Guderian Falko , Fettweis Gerhard , Petri Markus , Piz Maxim , Marinkovic Miroslav , Peter Michael , Felbecker Robert , Keusgen Wilhelm 
Published: March 2011

The large bandwidth of the 60 GHz frequency band enables wireless short-range applications with data rates of several Gbit/s. The German project EASY-A has focused on early prototype implementations for selected applications, although no generally accepted 60 GHz standard has been available at the time. The implementations are based on application-oriented physical layer designs and link-budget investigations that account for the scenario-specific channel characteristics and for different integration technologies. This paper discusses the results of these investigations and details the hardware implementation of the digital baseband processing that relies on considerable parallelization. The link-budget results show that SiGe technology allows for 1 Gbit/s at a range of 3.5 m in non-line-of-sight environments, while up to 10 Gbit/s are feasible at more than 1 m in case of strong line of sight.
Collaborative Cohort Study of an Intervention to Reduce Ventilator-Associated Pneumonia in the Intensive Care Unit
Authors: Berenholtz Sean M. , Pham Julius C. , Thompson David A. , Needham Dale M. , Lubomski Lisa H. , Hyzy Robert C. , Welsh Robert , Cosgrove Sara E. , Sexton J. Bryan , Colantuoni Elizabeth , Watson Sam R. , Goeschel Christine A. , Pronovost Peter J. 
Published: March 2011

Objective.To evaluate the impact of a multifaceted intervention on compliance with evidence-based therapies and ventilator-associated pneumonia (VAP) rates.Design.Collaborative cohort before-after study.Setting.Intensive care units (ICUs) predominantly in Michigan.Interventions.We implemented a multifaceted intervention to improve compliance with 5 evidence-based recommendations for mechanically ventilated patients and to prevent VAP. A standardized CDC definition of VAP was used and maintained at each site, and data on the number of VAPs and ventilator-days were obtained from the hospital's infection preventionists. Baseline data were reported and postimplementation data were reported for 30 months. VAP rates (in cases per 1,000 ventilator-days) were calculated as the proportion of ventilator-days per quarter in which patients received all 5 therapies in the ventilator care bundle. Two interventions to improve safety culture and communication were implemented first.Results.One hundred twelve ICUs reporting 3,228 ICU-months and 550,800 ventilator-days were included. The overall median VAP rate decreased from 5.5 cases (mean, 6.9 cases) per 1,000 ventilator-days at baseline to 0 cases (mean, 3.4 cases) at 16–18 months after implementation (P < .001) and 0 cases (mean, 2.4 cases) at 28-30 months after implementation (P < .001). Compared to baseline, VAP rates decreased during all observation periods, with incidence rate ratios of 0.51 (95% confidence interval, 0.41–0.64) at 16–18 months after implementation and 0.29 (95% confidence interval, 0.24–0.34) at 28–30 months after implementation. Compliance with evidence-based therapies increased from 32% at baseline to 75% at 16–18 months after implementation (P < .001) and 84% at 28–30 months after implementation (P < .001).Conclusions.A multifaceted intervention was associated with an increased use of evidence-based therapies and a substantial (up to 71%) and sustained (up to 2.5 years) decrease in VAP rates.