bluuebunny/crossref_metadata_2025 huggingface dataset:
Motivational and social cognitive predictors of doping intentions in elite sports: An integrated approach
Authors: Barkoukis V. , Lazuras L. , Tsorbatzoudis H. , Rodafinos A.
Published: April 2013

Doping use is an important issue in both competitive and non‐competitive sports, and poses potentially irreversible health consequences to users. Scholars increasingly call for theory‐driven studies on the psychosocial processes underlying doping use that will inform subsequent policy‐making and prevention interventions. The aim of the study was to implement an integrative theoretical model to assess the direct and indirect effects of motivational variables, moral orientations, and social cognitions on doping intentions. A randomly selected and representative sample of 750 elite athletes anonymously completed a battery of questionnaires on motivational and moral constructs, and social cognitions related to doping. Hierarchical linear regression analysis and multiple mediation modeling were used. The effects of achievement goals and moral orientations were significantly mediated by attitudinal, normative, and self‐efficacy beliefs, in both lifetime ever and never doping users. Moral orientations indirectly predicted the doping intentions of never users, but did not predict ever users' doping intentions. Achievement goals and sportspersonship orientations influence doping intentions indirectly, through the effects of attitudes and self‐efficacy beliefs. Sportspersonship (moral) orientations were relevant to doping intentions among athletes with no prior experiences with doping, while achievement goals and situational temptation were relevant to both lifetime never and ever dopers.
Conceptual Metaphors and Mathematical Practice: On Cognitive Studies of Historical Developments in Mathematics
Authors: Schlimm Dirk
Published: April 2013

This article looks at recent work in cognitive science on mathematical cognition from the perspective of history and philosophy of mathematical practice. The discussion is focused on the work of Lakoff and Núñez, because this is the first comprehensive account of mathematical cognition that also addresses advanced mathematics and its history. Building on a distinction between mathematics as it is presented in textbooks and as it presents itself to the researcher, it is argued that the focus of cognitive analyses of historical developments of mathematics has been primarily on the former, even if they claim to be about the latter.
Reproductive performance and natural antagonists of univoltine population of Ips typographus (Coleoptera, Curculionidae, Scolytinae) at epidemic level: a study from Šumava Mountains, Central Europe
Authors: Lukášová K. , Holuša J. , Grucmanová Š.
Published: April 2013

Population ofI. typographuswas studied in one locality with small-scale and short-term outbreak distant from large-scale and long-term outbreak area by several hundred meters. In total, ten spruce trees infested by the spruce bark beetle were examined. Always four stripes of bark (sample area) with the length equal to half the circumference of the trunk and the width of approximately 0.5 m were analyzed. The local spruce bark beetle population was characterized by high population density (1.5±1.2 entry holes per dm2), low number of eggs per female, and short maternal galleries. Relatively low reproductive success (0.8 female offspring per one mother beetle, percentage of surviving individuals varies between 1and 18 % was documented. The parasitism rate of living developmental stages of spruce bark beetle by larval parasitoids averaged 14 %. The level of infestation by pathogens and endoparasitoids in maternal beetles from their galleries was low. Highly likely, it is a result of short-term outbreak during which response of parasitoids was delayed in time.
Leaf area index of Norway spruce stands in relation to age and defoliation
Authors: Pokorný R. , Stojnič S.
Published: April 2013

This contribution presents LAI data of 17 Norway spruce stands of different age (from 15 to 102 years) and health status (defoliation ranging from 0 to 40 %) located in the Těšínské Beskydy Mts. (NE of the Czech Republic). Defoliation degree was estimated by ocular observation and LAI was estimated indirectly on the base of gap fraction method using LAI-2000 PCA (Li-Cor, USA). It was found that LAI decreased with stand age (approximately from 12.6 to 8.5) whereas defoliation increased. Therefore, strong relationship between defoliation and LAI as well as gap fractions was found. LAI appears valuable parameter for health status of stand evaluation due to linear relationship (r2 = 0.87) between LAI and defoliation. As LAI can be estimated more objectively by a canopy analyzer then the degree of canopy defoliation by ocular observation, there is a perspective for a wide use LAI in forest practice. The LAI values can be used for the evaluation of health status of Norway spruce stands.
Comment on “Apatite
4
He/
3
He and (U-Th)/He Evidence for an Ancient Grand Canyon”
Authors: Lucchitta Ivo
Published: April 2013

Flowers and Farley (Reports, 21 December 2012, p. 1616; published online 29 November 2012) use thermochronometry to propose that the western paleo–Grand Canyon was nearly as deep 70 million years ago (Ma) as today. However, lithologies, facies relations, geomorphology, and paleotopography of Miocene interior-basin deposits near the mouth of the Grand Canyon show that no paleocanyon existed in that area during filling of the basin, ~17 to ~5 Ma.
Blockade of Chronic Type I Interferon Signaling to Control Persistent LCMV Infection
Authors: Wilson Elizabeth B. , Yamada Douglas H. , Elsaesser Heidi , Herskovitz Jonathan , Deng Jane , Cheng Genhong , Aronow Bruce J. , Karp Christopher L. , Brooks David G.
Published: April 2013

INTERFER(ON)ing Persistence

During persistent viral infections, a dysregulated immune response fails to control the infection.

Wilson
et al.

(p.
202
) and

Teijaro
et al.

(p.
207
; see the Perspective by

Odorizzi and Wherry

) show this occurs because type I interferons (IFN I), critical for early responses to viral infection, contribute to the altered immunity seen during persistent infection. Antibody blockade of IFN I signaling during chronic lymphocytic choriomeningitis virus (LCMV) in mice resulted in reduced viral titers at later stages of infection, reduced expression of inhibitory immune molecules and prevented the disruptions to secondary lymphoid organs typically observed during persistent infection with LCMV. Whether type I IFNs are also detrimental to persistent viral infection humans, such as HIV and hepatitis C virus, remains to be determined.
Pluralistic Paradigms
Studying Human Behavior
How Scientists Investigate Aggression and Sexuality

by Helen E. Longino

University of Chicago Press, Chicago, 2013. 261 pp. S75. ISBN 9780226492872. Paper, $25, £16. ISBN 9780226492889.
Authors: Milam Erika Lorraine
Published: April 2013

Longino uses her examination of five approaches to behavioral research (and the uses to which it is put) to argue for a pluralistic perspective on human aggression and sexuality.
Pactamycin Made Easy
Authors: Codelli Julian A. , Reisman Sarah E.
Published: April 2013

A concise chemical synthesis of pactamycin, a natural product that targets the ribosome, may allow the development of less toxic derivatives.

[Also see Report by

Malinowski
et al.

]
New Flu Virus in China Worries and Confuses
Authors: Cohen Jon
Published: April 2013

Evidence suggests that novel bird flu virus H7N9 isn't spreading between people, but how patients became infected is still unclear.
From Cosmic Dawn to Milkomeda, and Beyond
Authors: Irion Robert
Published: April 2013

The thoughts of Harvard University theorist Avi Loeb traverse the universe, past and future—and he urges young researchers to be just as daring.
Comparison of MICs of Fluconazole and Flucytosine When Dissolved in Dimethyl Sulfoxide or Water
Authors: Fothergill Annette W. , Sanders Carmita , Wiederhold Nathan P.
Published: April 2013

A total of 145 clinical strains of
Candida
species were tested by the Clinical and Laboratory Standards Institute M27-A3 methodology to determine if replacing water with dimethyl sulfoxide as the solvent for fluconazole and flucytosine impacted the
in vitro
potency. No significant differences in MIC values were observed with either antifungal between the two solvents against any
Candida
species, and the essential agreement for each agent between the two solvents was greater than 99%.
Evaluation of the βLACTA Test, a Novel Commercial Chromogenic Test for Rapid Detection of Ceftazidime-Nonsusceptible Pseudomonas aeruginosa Isolates
Authors: Laurent Terry , Huang Te-Din , Bogaerts Pierre , Glupczynski Youri
Published: April 2013

A novel commercial chromogenic technique, the βLACTA test (Bio-Rad, Marnes-la-Coquette, France), was evaluated to detect nonsusceptibility to ceftazidime in
Pseudomonas aeruginosa
isolates. Easily implemented in the routine microbiology laboratory, this rapid test was sensitive (95%) and specific (87%) and presented negative and positive predictive values of 99% and 100%, respectively.
Intra-Abdominal Infections Due to Comamonas kerstersii
Authors: Almuzara Marisa N. , Cittadini Rosana , Vera Ocampo Cecilia , Bakai Romina , Traglia German , Ramirez Maria S. , del Castillo Marcelo , Vay Carlos A.
Published: April 2013

Herein, we report four cases ofComamonas kerstersiiintra-abdominal infections representing the first report of human infections caused by thisComamonasspecies. In addition, our work demonstrates the association ofC. kerstersiiwith peritonitis secondary to appendix rupture.
Kaposi's Sarcoma-Associated Herpesvirus (KSHV) Latency-Associated Nuclear Antigen Regulates the KSHV Epigenome by Association with the Histone Demethylase KDM3A
Authors: Kim Kevin Y. , Huerta Steve B. , Izumiya Chie , Wang Don-Hong , Martinez Anthony , Shevchenko Bogdan , Kung Hsing-Jien , Campbell Mel , Izumiya Yoshihiro
Published: April 2013

Kaposi's sarcoma-associated herpesvirus (KSHV) latent genomes are tethered to host histones to form a minichromosome also known as an “episome.” Histones, which are core components of chromatin, are heavily modified by various histone-targeting enzymes. Posttranslational modifications of histones significantly influence accessibility of transcriptional factors and thus have profound effects on gene expression. Recent studies showed that epigenetic marks on the KSHV episome are well organized, exemplified by the absence of histone H3 lysine 9 (H3K9) methylation, a heterochromatic histone mark, from immediate early and latent gene promoters in naturally infected cells. The present study revealed a mechanistic insight into KSHV epigenome regulation via a complex consisting of LANA and the H3K9me1/2 histone demethylase JMJD1A/KDM3A. This complex was isolated from HeLa cell nuclear extracts stably expressing LANA and was verified by coimmunoprecipitation analyses and with purified proteins. LANA recruitment sites on the KSHV genome inversely correlated with H3K9me2 histone marks in naturally infected cells, and methylation of H3K9 significantly inhibited LANA binding to the histone H3 tail. Chromatin immunoprecipitation coupled with KSHV tiling arrays identified the recruitment sites of the complex, while depletion of LANA expression or overexpression of a KDM3A binding-deficient mutant decreased KDM3A recruitment to the KSHV genome. Finally, ablation of KDM3A expression from latently KSHV-infected cells significantly inhibited KSHV gene expression, leading to decreased KSHV replication during reactivation. Taken together, our results suggest that LANA may play a role in regulation of epigenetic marks on the KSHV genome, which is in part through association with the histone demethylase KDM3A.
Novel
cis
-Acting Element within the Capsid-Coding Region Enhances Flavivirus Viral-RNA Replication by Regulating Genome Cyclization
Authors: Liu Zhong-Yu , Li Xiao-Feng , Jiang Tao , Deng Yong-Qiang , Zhao Hui , Wang Hong-Jiang , Ye Qing , Zhu Shun-Ya , Qiu Yang , Zhou Xi , Qin E-De , Qin Cheng-Feng
Published: April 2013

cis
-Acting elements in the viral genome RNA (vRNA) are essential for the translation, replication, and/or encapsidation of RNA viruses. In this study, a novel conserved
cis
-acting element was identified in the capsid-coding region of mosquito-borne flavivirus. The
d
ownstream of 5′
c
yclization
s
equence (5′CS)
p
seudo
k
not (DCS-PK) element has a three-stem pseudoknot structure, as demonstrated by structure prediction and biochemical analysis. Using dengue virus as a model, we show that DCS-PK enhances vRNA replication and that its function depends on its secondary structure and specific primary sequence. Mutagenesis revealed that the highly conserved stem 1 and loop 2, which are involved in potential loop-helix interactions, are crucial for DCS-PK function. A predicted loop 1-stem 3 base triple interaction is important for the structural stability and function of DCS-PK. Moreover, the function of DCS-PK depends on its position relative to the 5′CS, and the presence of DCS-PK facilitates the formation of 5′-3′ RNA complexes. Taken together, our results reveal that the
cis
-acting element DCS-PK enhances vRNA replication by regulating genome cyclization, and DCS-PK might interplay with other
cis
-acting elements to form a functional vRNA cyclization domain, thus playing critical roles during the flavivirus life cycle and evolution.
A Vicilin-Like Seed Storage Protein, PAP85, Is Involved in Tobacco Mosaic Virus Replication
Authors: Chen Cheng-En , Yeh Kuo-Chen , Wu Shu-Hsing , Wang Hsiang-Iu , Yeh Hsin-Hung
Published: April 2013

One striking feature of viruses with RNA genomes is the modification of the host membrane structure during early infection. This process requires both virus- and host-encoded proteins; however, the host factors involved and their role in this process remain largely unknown. On infection with
Tobacco mosaic virus
(TMV), a positive-strand RNA virus, the filamentous and tubular endoplasmic reticulum (ER) converts to aggregations at the early stage and returns to filamentous at the late infectious stage, termed the ER transition. Also, membrane- or vesicle-packaged viral replication complexes (VRCs) are induced early during infection. We used microarray assays to screen the
Arabidopsis thaliana
gene(s) responding to infection with TMV in the initial infection stage and identified an
Arabidopsis
gene,
PAP85
(annotated as a vicilin-like seed storage protein), with upregulated expression during 0.5 to 6 h of TMV infection. TMV accumulation was reduced in
pap85
-RNA interference (RNAi)
Arabidopsis
and restored to wild-type levels when PAP85 was overexpressed in
pap85
-RNAi
Arabidopsis
. We did not observe the ER transition in TMV-infected
PAP85
-knockdown
Arabidopsis
protoplasts. In addition, TMV accumulation was reduced in
PAP85
-knockdown protoplasts. VRC accumulation was reduced, but not significantly (
P
= 0.06), in
PAP85
-knockdown protoplasts. Coexpression of PAP85 and the TMV main replicase (P126), but not their expression alone in
Arabidopsis
protoplasts, could induce ER aggregations.
A Herpes Simplex Virus Scaffold Peptide That Binds the Portal Vertex Inhibits Early Steps in Viral Replication
Authors: Yang Kui , Wills Elizabeth , Baines Joel D.
Published: April 2013

Previous experiments identified a 12-amino-acid (aa) peptide that was sufficient to interact with the herpes simplex virus 1 (HSV-1) portal protein and was necessary to incorporate the portal into capsids. In the present study, cells were treated at various times postinfection with peptides consisting of a portion of the
Drosophila
antennapedia protein, previously shown to enter cells efficiently, fused to either wild-type HSV-1 scaffold peptide (YPYYPGEARGAP) or a control peptide that contained changes at positions 4 and 5. These 4-tyrosine and 5-proline residues are highly conserved in herpesvirus scaffold proteins and were previously shown to be critical for the portal interaction. Treatment early in infection with subtoxic levels of wild-type peptide reduced viral infectivity by over 1,000-fold, while the mutant peptide had little effect on viral yields. In cells infected for 3 h in the presence of wild-type peptide, capsids were observed to transit to the nuclear rim normally, as viewed by fluorescence microscopy. However, observation by electron microscopy in thin sections revealed an aberrant and significant increase of DNA-containing capsids compared to infected cells treated with the mutant peptide. Early treatment with peptide also prevented formation of viral DNA replication compartments. These data suggest that the antiviral peptide stabilizes capsids early in infection, causing retention of DNA within them, and that this activity correlates with peptide binding to the portal protein. The data are consistent with the hypothesis that the portal vertex is the conduit through which DNA is ejected to initiate infection.
Sulfamoylbenzamide Derivatives Inhibit the Assembly of Hepatitis B Virus Nucleocapsids
Authors: Campagna Matthew R. , Liu Fei , Mao Richeng , Mills Courtney , Cai Dawei , Guo Fang , Zhao Xuesen , Ye Hong , Cuconati Andrea , Guo Haitao , Chang Jinhong , Xu Xiaodong , Block Timothy M. , Guo Ju-Tao
Published: April 2013

Chronic hepatitis B virus (HBV) infection, a serious public health problem leading to cirrhosis and hepatocellular carcinoma, is currently treated with either pegylated alpha interferon (pegIFN-α) or one of the five nucleos(t)ide analogue viral DNA polymerase inhibitors. However, neither pegIFN-α nor nucleos(t)ide analogues are capable of reliably curing the viral infection. In order to develop novel antiviral drugs against HBV, we established a cell-based screening assay by using an immortalized mouse hepatocyte-derived stable cell line supporting a high level of HBV replication in a tetracycline-inducible manner. Screening of a library consisting of 26,900 small molecules led to the discovery of a series of sulfamoylbenzamide (SBA) derivatives that significantly reduced the amount of cytoplasmic HBV DNA. Structure-activity relationship studies have thus far identified a group of fluorine-substituted SBAs with submicromolar antiviral activity against HBV in human hepatoma cells. Mechanistic analyses reveal that the compounds dose dependently inhibit the formation of pregenomic RNA (pgRNA)-containing nucleocapsids of HBV but not other animal hepadnaviruses, such as woodchuck hepatitis virus (WHV) and duck hepatitis B virus (DHBV). Moreover, heterologous genetic complementation studies of capsid protein, DNA polymerase, and pgRNA between HBV and WHV suggest that HBV capsid protein confers sensitivity to the SBAs. In summary, SBAs represent a novel chemical entity with superior activity and a unique antiviral mechanism and are thus warranted for further development as novel antiviral therapeutics for the treatment of chronic hepatitis B.
Replication and Immunogenicity of Swine, Equine, and Avian H3 Subtype Influenza Viruses in Mice and Ferrets
Authors: Baz Mariana , Paskel Myeisha , Matsuoka Yumiko , Zengel James , Cheng Xing , Jin Hong , Subbarao Kanta
Published: April 2013

Since it is difficult to predict which influenza virus subtype will cause an influenza pandemic, it is important to prepare influenza virus vaccines against different subtypes and evaluate the safety and immunogenicity of candidate vaccines in preclinical and clinical studies prior to a pandemic. In addition to infecting humans, H3 influenza viruses commonly infect pigs, horses, and avian species. We selected 11 swine, equine, and avian H3 influenza viruses and evaluated their kinetics of replication and ability to induce a broadly cross-reactive antibody response in mice and ferrets. The swine and equine viruses replicated well in the upper respiratory tract of mice. With the exception of one avian virus that replicated poorly in the lower respiratory tract, all of the viruses replicated in mouse lungs. In ferrets, all of the viruses replicated well in the upper respiratory tract, but the equine viruses replicated poorly in the lungs. Extrapulmonary spread was not observed in either mice or ferrets. No single virus elicited antibodies that cross-reacted with viruses from all three animal sources. Avian and equine H3 viruses elicited broadly cross-reactive antibodies against heterologous viruses isolated from the same or other species, but the swine viruses did not. We selected an equine and an avian H3 influenza virus for further development as vaccines.
Rectus sheath haematoma: a serious complication of a commonly administered drug
Authors: Parkinson Fran , Khalid Usman , Woolgar Justin
Published: April 2013

Ten days after an above knee amputation, this 62-year-old woman became acutely anaemic (haemoglobin drop of 10.4 to 6.2). Clinically, she had no obvious source of bleeding; however, on examination, her abdomen was slightly distended and she was tender over the suprapubic area. A CT scan of her abdomen and pelvis was arranged which showed a large haematoma (17×11 cm) arising from the anterior abdominal wall from the deep aspect of the left rectus abdominus, extending across the midline to the right rectus abdominus and deep into the pelvis. This may have been spontaneous or may have been due to direct injury when injecting subcutaneous heparin.
Swallowed magnets and batteries: a dangerous but not unexpected attraction
Authors: Teague Warwick Jonathan , Vaughan Elizabeth Mary , McHoney Merrill , McCabe Amanda Jayne
Published: April 2013

An 18-month-old boy was witnessed swallowing a cluster of five magnetic toy balls. He was coincidentally noted on plain x-rays to have also recently swallowed a watch battery and a small screw. Initial outpatient management with serial review and x-rays was unsuccessful, and delayed inpatient surgical care by 9 days. Although the child never manifested features of systemic or gastrointestinal upset, emergency laparotomy confirmed a resultant jejunocolic fistula. This case demonstrates how clinical assessment of children who have swallowed magnets separately from each other can be falsely reassuring, and highlights the potential dangers of outpatient management. We recommend children who have swallowed separately >1 magnetic objects (or >1 objects capable of magnetic attraction) be managed as inpatients with active observation and timely foreign body removal.
Paraspinal abscess secondary to tuberculous spondylitis diagnosed by Xpert MTB/RIF assay in rural Tanzania
Authors: Hella Jerry Joseph , Hiza Hellen Charles , Mfinanga Elirehema , Reither Klaus
Published: April 2013

A 31-year-old HIV-negative man presented to our clinic with a 6-month history of back pain and a swelling at the back. Radiological studies revealed lumbar vertebral destruction. Ultrasound of the mass showed a septated cystic mass with turbid fluid. Diagnostic aspiration revealed thick pus and smear microscopy detected acid-fast bacilli. Xpert MTB/RIF assay detectedMycobacterium tuberculosiswith no rifampicin resistance.
Patient expectations of minor injury care: a cross-sectional survey
Authors: Whiteley Jack , Goodacre Steve
Published: April 2013

Background and objective

Little is known about the expectations of patients attending the emergency department (ED) with minor injuries. Failure to address expectations may lead to dissatisfaction and poor compliance. We aimed to describe patient expectations of minor injury care and explore the association between unmet expectations and patient satisfaction.

Methods

We undertook a cross-sectional questionnaire survey of 300 patients attending the ED with minor injuries on weekdays between 9:00 and 17:00. Participants completed a questionnaire asking which tests and treatments they expected, which they consequently received, whether explanations were given for tests and treatments, and how they rated satisfaction with care.

Results

The most frequently expected interventions were x-ray, analgesia and bandage/strapping. In each case the proportion expecting intervention was significantly higher than the proportion receiving intervention: x-ray (58% vs 47%, p<0.001); analgesia (40% vs 20%, p<0.001); bandage/strapping (39% vs 22%, p<0.001). There were no significant differences between the proportions expecting and receiving other interventions. At least one unmet expectation was reported by 208/300 patients (69%) but an explanation was received in 151/208 cases (73%). Conversely, 106 (35%) received an unexpected intervention, of whom 79/106 (74%) received an explanation. Patients with unmet expectations tended to rate the satisfaction lower, but the difference was not statistically significant (p=0.187).

Conclusions

Patients often expect interventions for minor injuries that they do not receive, but in most cases an explanation was given. We were unable to demonstrate an association between unmet expectations and reduced satisfaction with care.
Career choices for emergency medicine: national surveys of graduates of 1993–2009 from all UK medical schools
Authors: Svirko Elena , Lambert Trevor , Brand Lois , Goldacre Michael J
Published: April 2013

Background

In the UK, recruitment of adequate numbers of doctors to emergency medicine (EM) has been problematic. With this as background, we analysed data about career choice for, and progression in, EM in a large multi-purpose study of doctors’ careers.

Methods

Questionnaire surveys of medical graduates of 1993, 1996, 1999, 2000, 2002, 2005, 2008 and 2009 from all UK medical schools.

Results

EM was specified as a first choice of career by 4.2% of graduates in postgraduate year 1, 4.8% in year 3, and 3.8% in year 5. Graduates who chose EM were much less likely to be certain about their choice than those who chose other specialties. Of those who specified EM as their first choice of career in year 1, only 26% still had it as their first choice in year 5. Of those who gave EM as their first career choice in year 5, only 27% had given EM as their first choice in year 1. Switches to EM were made, notably, by doctors who previously favoured surgical specialties, hospital physician-led specialties and anaesthetics.

Conclusions

Early career choices for EM are less predictive of career destinations than choices for other specialties, and, compared with many other specialties, doctors who pursue it may turn to it relatively late. Training policies on transferable competencies should enable clinical trainees in other related specialties to bank some of their skills if they transfer to EM, rather than necessarily having to start core training in year 1 of EM specialty training.
Density functional theory studies on the structure and electron distribution in the peroxide intermediate of the catalytic cycle of multicopper oxidases
Authors: Zhekova Hristina , Seth Michael , Ziegler Tom
Published: April 2013

The peroxide intermediate (PI) is obtained in the first step of the reduction of O2 by multicopper oxidases. Earlier density functional theory (DFT) studies as well as spectral and structural comparison to a fully oxidized structural analogue of the PI known as the peroxide adduct (PA) reveal that O2 bridges all three copper atoms of the trinuclear cluster in the PI. This orientation of the oxygen moiety has been discussed as a result of the influence from the second coordination sphere. In the present study, we investigate by DFT and quantum mechanics/molecular mechanics (QM/MM) the potential energy surface (PES) of the PI as a function of the orientation of O2 within the copper cluster to examine the influence of the second coordination sphere on the structure of the PI. We use the second order spin-flip constricted variational DFT method to probe a possible multideterminantal nature of the PI and to devise a computational strategy for its treatment. Our results suggest that the PI can be approximated to a closed shell singlet. Additionally, for the determination of the oxidation states of the three copper atoms in the PI, the electron redistribution upon the formation of the PI has been investigated with the extended transition state–natural orbitals for chemical valence method. We observe a flat PES on which oxygen can easily rotate between the copper atoms. The fully bridged PI structure emerges in the absence of atoms from the second coordination sphere and has been attributed to the coordination unsaturation of the copper atoms in the cluster. The good Cu–O overlap leads to the participation of all copper atoms in the reduction of O2.
Using perturbatively selected configuration interaction in quantum Monte Carlo calculations
Authors: Giner Emmanuel , Scemama Anthony , Caffarel Michel
Published: April 2013

Defining accurate and compact trial wavefunctions leading to small statistical and fixed-node errors in quantum Monte Carlo (QMC) calculations is still a challenging problem. Here we propose to make use of selected configuration interaction (CI) expansions obtained by selecting the most important determinants through a perturbative criterion. A major advantage with respect to truncated CASSCF wavefunctions or CI expansions limited to a maximum number of excitations (e.g, CISD) is that much smaller expansions can be considered (many unessential determinants are avoided), an important practical point for efficient QMC calculations. The most important determinants entering first during the selection process (hierarchical construction) the main features of the nodal structure of the wavefunction can be expected to be obtained with a moderate number of determinants. Thanks to this property, the delicate problem of optimizing in a Monte Carlo framework the numerous linear and (or) nonlinear parameters of the determinantal part of the trial wavefunction could be avoided. As a first numerical example, the calculation of the ground-state energy of the oxygen atom is presented. The best DMC value reported so far is obtained.
Carcass analog addition enhances juvenile Atlantic salmon (Salmo salar) growth and condition
Authors: Guyette Margaret Q. , Loftin Cynthia S. , Zydlewski Joseph
Published: April 2013

Our study used historic marine-derived nutrient (MDN) delivery timing to simulate potential effects of restored connectivity on juvenile Atlantic salmon (ATS; Salmo salar) growth and condition. Four headwater streams were stocked with ATS young of the year (YOY) and received carcass analog additions (0.10 kg·m–2wetted area) in treatment reaches to match the timing of sea lamprey (Petromyzon marinus) spawning. Individual ATS mass was 33%–48% greater and standard length was 9%–15% greater in treatment reaches relative to control reaches for 4 months following nutrient additions. Percent total lipids in YOY ATS were twice as great in treatment reaches 1 month following carcass analog additions and remained elevated in treatment fish for 2 more months. Absolute growth rates, based on otolith microstructure analysis, correlated with water temperature fluctuations in all reaches and were elevated by an average of 0.07 mm·day–1in treatment reaches for 1 month following carcass analog additions. Simulated sea lamprey MDNs increased juvenile ATS growth, which, via potential increases in overwinter survival and decreases in smolt age, may contribute to population persistence and ecosystem productivity.
A PRIMER ON SURFACE PLASMON-POLARITONS IN GRAPHENE
Authors: BLUDOV YU. V. , FERREIRA AIRES , PERES N. M. R. , VASILEVSKIY M. I.
Published: April 2013

We discuss the properties of surface plasmons-polaritons in graphene and describe four possible ways of coupling electromagnetic radiation in the terahertz (THz) spectral range to this type of surface waves: (i) the attenuated total reflection (ATR) method using a prism in the Otto configuration, (ii) graphene micro-ribbon arrays or monolayers with modulated conductivity, (iii) a metal stripe on top of the graphene layer, and (iv) graphene-based gratings. The text provides a number of original results along with their detailed derivation and discussion.
THERMODYNAMIC QUANTITIES AT HIGH PRESSURES IN THE i AND θ PHASES OF SOLID NITROGEN DEDUCED BY RAMAN FREQUENCY SHIFTS FOR THE INTERNAL MODES IN LITERATURE
Authors: YURTSEVEN H. , SARITAŞ S.
Published: April 2013

The pressure dependence of the Raman frequencies of the internal modes is analyzed (T = 300 K ) for the phases i and θ of solid nitrogen using the experimental data from the literature. Through the mode Grüneisen parameter, the isothermal compressibility κT, thermal expansion αp and the specific heat Cp–Cv are calculated as a function of pressure using the Raman data in these phases.

We obtain that the αp varies linearly with the (1/υ)(∂υ/∂P)T and also that the Cp–Cv varies linearly with the αp for N 2. Our results show that by means of the analysis given here, the αp, κT and Cp–Cv can be predicted from the Raman frequency shifts for the i and θ phases of solid nitrogen.
SUPERFLUID, STAGGERED STATE, AND MOTT INSULATOR OF REPULSIVELY INTERACTING THREE-COMPONENT FERMIONIC ATOMS IN OPTICAL LATTICES
Authors: INABA KENSUKE , SUGA SEI-ICHIRO
Published: April 2013

We review our theoretical analysis of repulsively interacting three-component fermionic atoms in optical lattices. We discuss quantum phase transitions at around half filling with a balanced population by focusing on Mott transitions, staggered ordering, and superfluidity. At half filling (with 3/2 atoms per site), characteristic Mott transitions are induced by the anisotropic interactions, where two-particle repulsions between any two of the three colors have different strengths. At half filling, two types of staggered ordered states appear at low temperatures depending on the anisotropy of the interactions. As the temperature increases, phase transitions occur from the staggered ordered states to the unordered Mott states. Deviating from half filling, an exotic superfluid state appears close to a regime in which the Mott transition occurs. We explain the origin of these phase transitions and present the finite-temperature phase diagrams.
EFFECTS OF INTERNAL DEFECT ON THE VORTEX ENTRANCE IN MESOSCOPIC SUPERCONDUCTOR
Authors: BARBA-ORTEGA J. , JOYA MIRYAM R. , MARQUES GILMAR E.
Published: April 2013

In this paper, we report on the influence of an internal defect on the vortex entrance in a mesoscopic superconducting sample. Effects associated to the pinning force of the defect on the configuration and on the vortex entry fields are studied for a very thin disk. We calculate the supercurrent, magnetization, vorticity, free energy and Cooper pairs density for a disk in presence of external magnetic field applied perpendicular to the disk plane. Due to vortex–defect attraction (repulsion), the vortices always (never) are found to be sitting on the defect position.
EVIDENCE OF POLARIZATION SWITCHING INDUCED BY MAGNETIC FIELD IN BiFeO3 THIN FILM
Authors: WANG J. N. , LI W. L. , LI X. L. , FEI W. D.
Published: April 2013

A BiFeO 3 thin film was prepared on the (111) Pt / Ti / SiO 2/ Si substrate by the solution coating method. In order to detect the effect of an external magnetic field on the BiFeO 3 thin film, a fine scan X-ray diffraction with a scan ratio of 0.002°/s was carried out under the magnetic field parallel to the film surface. The result of the in situ analysis of X-ray diffraction for the thin film in the magnetic field indicates that the magnetic field leads to an increase of the integral intensity ratio of [Formula: see text] compared with that under no magnetic field. The increase of [Formula: see text] implies a domain switching under the magnetic field, where the domain switching comes from the decreasing residual tensile stress induced by the magnetostriction of BiFeO 3 in the magnetic field.
A MODEL OF HIPPOCAMPAL MEMORY BASED ON AN ADAPTIVE LEARNING RULE OF SYNAPSES
Authors: YAN CHUANKUI , WANG RUBIN , PAN XIAOCHUAN
Published: April 2013

We constructed a neural network of the hippocampus and proposed an adaptive learning rule of synapses to simulate the storing and retrieving processes of memory in the hippocampus by a mechanism of resonance. The hippocampus network consists of CA1, CA3 and DG, in particular, CA1 is a storage of memory, which receives inputs from both EC through perforant path (PP) and CA3 through Schaffer collaterals (SC). The stimulated results showed that the memory trace was unable to be encoded in CA1 when only a single subthreshold signal from EC or CA3 was inputted, of which the main reason might be lack of the resonance of the two signals. We calculated signal-to-noise ratio (SNR) of the network, and found it reached a peak value at appropriate SC connection strength, indicating that a typical stochastic resonance phenomenon appeared in PP signal detection. The inputs from EC and CA3 were able to enhance the memory representation in CA1, although still incomplete. We used a learning rule to modify synaptic weights by which the network could learn an external pattern. The hippocampus network tended to be stable after sufficient evolution. Some CA1 neurons show synchronized firings which are used to represent memory and are clearer than observed memory traces before learning. The model and results provide a good guidance to our understanding of the mechanism of the hippocampus memory.
CONCEPT LOCATION MODELING THROUGH BUSINESS PROCESS VIEWS
Authors: PÉREZ-CASTILLO RICARDO , PIATTINI MARIO , WEBER BARBARA
Published: April 2013

Concept location is a key activity during software modernization since it allows maintainers to exactly determine what pieces of source code support a specific concept. Real-world business processes and information systems providing operational IT support for respective processes can be misaligned as a consequence of uncontrolled maintenance over time. When concepts supported by an information system are getting outdated or misaligned, concept location becomes a time-consuming and error-prone task. Moreover, enterprise information systems (which implement business processes) embed significant business knowledge over time that is neither present nor documented anywhere else. To support the evolution of existing information systems, the embedded knowledge must first be retrieved and depicted in up-to-date business process models and then be mapped to the source code. This paper addresses this issue through a concept location approach that considers business activities as the key concept to be located and discovers different partial business process views for each piece of source code. Thus, the concept location problem becomes the problem of extracting such views. This approach follows model-driven development principles and an automatic model transformation is implemented to facilitate its adoption. Moreover, a case study involving two real-life information system demonstrates its feasibility.
Physicians' Participation in Practice of Knowledge Management Systems
Authors: Lin Hsien-Cheng , Yang Chen-Wei , Chiou Jeng-Yuan
Published: April 2013

Healthcare organisations are knowledge-based establishments. At a healthcare organisation, computer-based information systems (ISs) are powerful tools for improving care using decision support such as patient health data recording, storing, delivery and retrieval. This study investigates the physicians' perspective for the success of ISs, and the relationships between the users' satisfactions and intellectual capital. We adopted a questionnaire survey for the purpose of outcome assessment and the correlations among each dimension, from a sample of 181 physicians in Taiwan's international medical service centres. The results indicate that IS success is significantly related to intellectual capital. With regard to IS quality, system quality has no significant effects on information quality and patients' privacy protection. This research provides empirical evidence to evaluate IS success in healthcare organisations and suggestions for how to promote physicians using knowledge management systems.
Synthesis and properties of non-planar octaphenyl-substituted phthalocyaninato manganese(III)
Authors: Fukuda Takamitsu , Yamamoto Keita , Kobayashi Nagao
Published: April 2013

A trivalent manganese complex of a non-planar 1,4,8,11,15,18,22,25-octaphenylphthalocyanine derivative, 3, has been synthesized by treating metal-free 1,4,8,11,15,18,22,25-octaphenylphthalocyanine, 2, with manganese(II) chloride in refluxing DMF. X-ray crystallography has revealed that the complex adopts a highly-deformed skeletal conformation due to steric congestions between the substituted bulky phenyl groups. Although mass spectrometry results provide no indication of the presence of axial ligands, the crystal data clearly show that the manganese ion is coordinated axially by a chloride ion in addition to the four equatorial isoindole nitrogen atoms. The oxidation state of the manganese center of 3, therefore, has been assigned to 3+. Electronic absorption spectra revealed that the Q-band of 3 shows a significant bathochromic shift compared to that of the planar Mn ( III ) phthalocyanine 4 and non-planar metal-free phthalocyanine 2. The analysis of MCD and UV-vis spectra suggests that the absorption band observed at 555 nm for 3 is LMCT in origin. Electrochemical investigations indicate that the first oxidation couple is ligand-centered. Since the HOMO of 2 is destabilized due to the synergetic effects of the electron-donating phenyl groups at the non-peripheral positions and the deformed π-electronic skeleton, the resulting manganese complex 3, is anticipated to also have a ligand-centered HOMO. The results of spectroelectrochemistry confirm that the first oxidation process of 3 is indeed ligand-centered. DFT calculations indicate that the MO amplitudes of the HOMO and LUMO localize mainly on the Pc ligand and the manganese ion, respectively, also supporting the assignments of the cyclic voltammograms. By combining the manganese ion and non-planar Pc ligand, a novel, stable near-infrared (NIR)-absorbing material has been achieved in the present study.
Synthesis of phthalocyanine compounds bearing 2-(diethoxyphosphoryl)-4-methylpenta-1,3-dienyl functional groups
Authors: Tolbin Alexander Yu. , Pushkarev Victor E. , Balashova Irina O. , Brel Valery K. , Gudkova Yuliana I. , Shestov Vladimir I. , Tomilova Larisa G.
Published: April 2013

Free-base phthalocyanine ligands and their zinc derivatives representing functionally monosubstituted (A3B type) or tetrasubstituted (A4 type) compounds with 2-diethoxyphosphoryl-4-methylpenta-1,3-dienyl moieties have been synthesized for the first time. Their structures were characterized by MALDI-TOF mass-spectrometry as well as 1 H and 31 P NMR spectroscopy data. A tendency to aggregation in dependence on the nature of the solvent was demonstrated as well.
REGIONAL CORRIDORS DEVELOPMENT: A FRAMEWORK
Authors: SRIVASTAVA PRADEEP
Published: April 2013

Regional corridors are popular components of regional cooperation initiatives and have been promoted for several years. Yet discussion about development of these corridors tends to be relatively general in scope and difficult to pin down in terms of content and implications. This paper outlines a simple framework for regional corridors development in the context of regional cooperation, anchored on two dimensions of these corridors: the extent to which they are national or regional, and the area of their utilization. The framework is subsequently applied to a specific example, the GMS regional cooperation program, yielding several implications for its future. The framework is also applied towards identifying an appropriate methodology for monitoring performance of regional corridors.
Histidine triad nucleotide-binding protein 1 (HINT1) regulates Ca2+ signaling in mouse fibroblasts and neuronal cells via store-operated Ca2+ entry pathway
Authors: Linde Cristina I. , Feng Bo , Wang Jia Bei , Golovina Vera A.
Published: April 2013

Recent findings indicate that histidine triad nucleotide-binding protein 1 (HINT1) is implicated in the pathophysiology of certain psychiatric disorders and also exhibits tumor suppressor properties. However, the authentic functions of HINT1 in cellular physiology and especially its role in Ca2+ signaling remain unclear. Here, we studied Ca2+ signaling in cultured embryonic fibroblasts derived from wild-type control and HINT1 knockout (KO) mice. The resting cytosolic Ca2+ level (measured with fura-2) was not altered in fibroblasts lacking HINT1. The stored Ca2+ evaluated by measuring peak amplitude of ATP (10 μM)-induced Ca2+ transients in Ca2+-free medium was significantly larger in HINT1 KO fibroblasts than in wild-type cells. Ca2+ influx after external Ca2+ restoration, likely via store- and receptor-operated channels (SOCs and ROCs, respectively), was greatly (by 2-fold) reduced in HINT1 KO fibroblasts. This correlated with a downregulated expression of Orai1 and stromal interacting molecule 1 (STIM1), essential components of store-operated Ca2+ entry pathway. Expression of canonical transient receptor potential (TRPC)3 and TRPC6, which function as ROCs, was not altered in HINT1 KO fibroblasts. Immunoblots also revealed that Orai1 was downregulated by twofold in brain lysates of HINT1 KO mice compared with the wild-type littermates. Importantly, silencer RNA knockdown of HINT1 in Neuro-2A cells markedly downregulated Orai1 and STIM1 protein expression and significantly (by 2.5-fold) reduced ATP-induced Ca2+ influx, while ATP-evoked Ca2+ release was not changed. Thus the study demonstrates a novel function of HINT1 that involves the regulation of SOC-mediated Ca2+ entry pathway (Orai1 and STIM1), essential for regulation of cellular Ca2+ homeostasis.
Sphingosine kinase 1 overexpression stimulates intestinal epithelial cell proliferation through increased c-Myc translation
Authors: Jiang Ping , Smith Alexis D. , Li Ruiyun , Rao Jaladanki N. , Liu Lan , Donahue James M. , Wang Jian-Ying , Turner Douglas J.
Published: April 2013

Sphingosine-1-phosphate (S1P), through mechanisms that are not completely understood, is shown to modulate cellular proliferation, which is critically important for maintaining the integrity of intestinal epithelium. Here, we show that increased S1P promotes proliferation in intestinal epithelial cells. We found that overexpression of sphingosine kinase 1 (SphK1), the rate-limiting enzyme for S1P synthesis, significantly increased cell proliferation and that this occurred through enhanced expression of c-Myc. Further, we found that the increased pattern of expression of c-Myc occurred predominantly due to its increased translation. The overexpressed SphK1 led to increased checkpoint kinase 2 and enhanced HuR phosphorylation which allowed for increased translation of c-Myc mRNA through HuR binding at the 3′-untranslated regions. Our findings demonstrate that S1P modulates intestinal cell proliferation and provides new insights as to the mechanistic actions of SphK1 and S1P in maintaining intestinal epithelial homeostasis.