bluuebunny/crossref_metadata_2025_split huggingface dataset:
Analysis of pair interaction in a bipolar mesogen 4‐(4‐hydroxylbutyloxy)‐4′‐cyano‐biphenyl: A comparative study based on semiempirical and DFT methods
Authors: Roychoudhury Mihir , Srivastav Rakesh Kumar 
Published: January 2011

AbstractStructure of 4‐(4‐hydroxylbutyloxy)‐4′‐cyano‐biphenyl (H4CBP) molecule has been optimized using density functional B3LYP with 6‐31G (d) basis set taking crystallographic geometry as input. Using the optimized geometry, electronic structure of the H4CBP molecule has been evaluated on the basis of semiempirical methods and DFT calculations. Intermolecular interaction energy between a pair of H4CBP molecules has been evaluated by using Rayleigh–Schrodinger perturbation theory modified with multicentered multipole expansion method for the electrostatic part while dispersion and repulsion terms have been calculated using Kitaigorodskii formula. The results obtained through semiempirical and DFT calculations have been compared for various interacting conditions, viz.: (a) stacking, (b) in‐plane, and (c) terminal interactions. A comparative analysis of the results has been carried out with a view to examine suitability of different methods to study molecular aggregations in moderately large organic systems. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
A first‐principles investigation of the hydrogen bond interaction and the sensitive characters in cis‐1,3,4,6‐tetranitrooctahydroimidazo‐[4,5‐d]imidazole
Authors: Chen Fang , Cheng Xin‐Lu 
Published: January 2011

AbstractA theoretical study of structural and electronic properties of cis‐1,3,4,6‐tetranitrooctahydroimidazo‐[4,5‐d]imidazole (BCHMX) crystal is performed using density functional theory. The band structure, the total density of states, the atomic orbit projected density of states (PDOS) of C, N, O, and H, and Mulliken population analysis are discussed. The study by analyzing the PDOS shows that the structure of BCHMX crystal possesses CH···O intra‐ and intermolecular hydrogen bonding. There are hydrogen bonds between H3‐1s and O5‐2p orbits, H2‐1s and O6‐2p orbits of intramolecules and between H2‐1s and O1‐2p orbits of intermolecules. The reasons for the smaller impact sensitivity compared with β‐1,3,5,7‐tetranitro‐1,3,5,7‐tetrazocane and 1,3,5‐trinitro‐1,3,5‐triazinane are also explored from the band gap in the crystal and the weakest bond dissociation energy in single molecule. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Emerging topics and challenges for statistical analysis and data mining
Authors: Goodman Arnold 
Published: January 2011

AbstractThe Preview integrates a sample of emerging topics in statistical analysis and data mining which I collected at 4 relevant 2010 meetings and major challenges which correspond to them. They are grouped into Mixtures of Problem Data, Methodologies for Solutions, Challenges for Statistical Analysis and Data Mining, and Challenges Suggested during Review. This Preview is meant to be a provocative overview, but it is not meant to be a comprehensive or definitive research article. A vision of the near future in any area is there for us to perceive when we look for it carefully. It has the advantages of short term predictions and its disadvantages may be overcome by checking against current literature. In times of cascading change, such an informed Preview may be even more valuable than the far more typical Reviews of what has already been accomplished that are provided by most Journals in overabundance. Now let us welcome the new decade full of things that have never been–imagine the possibilities! © 2011 Wiley Periodicals, Inc. Statistical Analysis and Data Mining 4: 3–8 2011
The impact of norm‐conforming behaviors on firm reputation
Authors: Philippe Déborah , Durand Rodolphe 
Published: January 2011

AbstractDeviance from social norms has been extensively examined in recent strategy research, leaving the strategic implications of conformity largely unexplored. In this article, we argue that firms can elect to conform to a norm along two dimensions: compliance with the goal and level of commitment to the procedures. We then produce a typology of four norm‐conforming behaviors, which allows us to isolate differentiated effects of conformity on firm reputation. We examine the corporate environmental disclosures of 90 U.S. firms and find that firms derive different reputational rewards depending on whether they conform to the goal or procedure dimension of the environmental transparency norm. In addition, the relationship between conformity and reputation is moderated by the firm's prior reputation and the stringency of the normative environment. Copyright © 2011 John Wiley & Sons, Ltd.
Functionality of α‐glucans in special formulas for infant and clinical nutrition
Authors: Braquehais Fernando Romero , Cava Mª José Bernal 
Published: January 2011

Abstractα‐Glucans are polysaccharides of D‐glucose monomers linked by α‐glycosidic bonds (starch, maltodextrin and maltose). The role of these compounds in human nutrition has been established mainly as an energy substrate, but other physiological effects have been widely described. In this review, we present the results from our systematic review of the principal scientific literature about the uses of α‐glucans in special formulas for infant and clinical nutrition. Modifications of carbohydrate composition are used in special formulas for infants, with the aim of being used as nutritional treatment for minor digestive disorders (lactose intolerance, gastroesophageal reflux and gut immaturity of premature newborns). The role and uses of α‐glucans in clinical nutrition, mainly RS, for treatment and prevention of constipation, colorectal cancer and diabetes has been reviewed.
Effect of high‐pressure microfluidization on the structure of cassava starch granule
Authors: Kasemwong Kittiwut , Ruktanonchai Uracha Rungsardthong , Srinuanchai Wanwisa , Itthisoponkul Teerarat , Sriroth Klanarong 
Published: January 2011

AbstractMicrofluidization has been applied to modify starch granules. The study was conducted to investigate the effect of microfluidization on the structure and thermal properties of cassava starch–water suspension (20% w/w). The means of optical microscopy, SEM, FTIR spectroscopy, XRD, and DSC were applied to analyze the changes in microstructure, crystallinity, and thermal property. Microscopy observations revealed that native starch granules were oval, round, and truncated in shape. After the microfluidization treatment, a bigger starch granule was partially gelatinized, and a gel‐like structure was formed on a granular surface. No significant difference in XRD patterns of the samples were observed and all samples exhibited A‐type allomorph. Crystallinity decreased with the pressure. Sample treated at 150 MPa contains 17.1% crystalline glucan polymer, lower than that of native granules which have crystallinity of about 25.8%. A lower crystallinity means poor order of crystalline glucan polymer structure in starch granules. The disruption of crystalline order within the granule was also observed by FTIR measurement. Thermal analysis using DSC indicated that the microfluidization treatment brought about a significant decrease of melting enthalpy. The gelatinization enthalpy was 12.0 and 3.0 J/g for the native sample and samples treated under the 150 MPa, respectively. The results indicate that high‐pressure microfluidization process induced the gelatinization of cassava starch, which is evaluated by a percentage of the degree of gelatinization, due to a pronounced decrease with increasing microfluidizing pressure.
Automated property verification for large scale B models with ProB
Authors: Leuschel Michael , Falampin Jérôme , Fritz Fabian , Plagge Daniel 
Published: January 2011

Abstract

In this paper we describe the successful application of the
ProB
tool for data validation in several industrial applications. The initial case study centred on the San Juan metro system installed by Siemens. The control software was developed and formally proven with B. However, the development contains certain assumptions about the actual rail network topology which have to be validated separately in order to ensure safe operation. For this task, Siemens has developed custom proof rules for Atelier B. Atelier B, however, was unable to deal with about 80 properties of the deployment (running out of memory). These properties thus had to be validated by hand at great expense, and they need to be revalidated whenever the rail network infrastructure changes. In this paper we show how we were able to use
ProB
to validate all of the about 300 properties of the San Juan deployment, detecting exactly the same faults automatically in a few minutes that were manually uncovered in about one man-month. We have repeated this task for three ongoing projects at Siemens, notably the ongoing automatisation of the line 1 of the Paris Métro. Here again, about a man month of effort has been replaced by a few minutes of computation. This achievement required the extension of the
ProB
kernel for large sets as well as an improved constraint propagation algorithm. We also outline some of the effort and features that were required in moving from a tool capable of dealing with medium-sized examples towards a tool able to deal with actual industrial specifications. We also describe the issue of validating
ProB
, so that it can be integrated into the SIL4 development chain at Siemens.
The clinicopathological significance of heat shock protein 70 and glutamine synthetase expression in hepatocellular carcinoma
Authors: Shin Eun , Ryu Han Suk , Kim Soo‐Hee , Jung Haeyoen , Jang Ja‐June , Lee Kyoungbun 
Published: January 2011

AbstractBackground/purposeHeat shock protein 70 (HSP70) and glutamine synthetase (GS) have been proposed to be promising markers for the differentiation of malignant and benign hepatocellular lesions. The aim of this study was to investigate the clinicopathological significance of the expression of HSP70 and GS in surgically resected hepatocellular carcinoma (HCC).MethodsThe authors collected 412 HCC samples and 120 non‐neoplastic hepatic tissue samples and performed an immunohistochemical study.ResultsHSP70 staining was observed in 282 of 392 HCC samples (71.9%), and GS immunoreactivity was observed in 212 of 395 HCC cases (53.7%). Of the several clinicopathological parameters examined, microscopic vascular invasion, a large tumor size, and a high Edmonson–Steiner grade were found to be correlated with positive staining for HSP70 (p = 0.032, 0.002, and 0.012, respectively). Survival analysis showed a correlation between HSP70 expression and disease‐free survival. GS was not found to be related to clinicopathological parameters.ConclusionsThe findings of the present study suggest that HSP70 be viewed as a predictor of prognosis as well as a useful diagnostic marker for HCC.
Sinisan, a traditional Chinese medicine, attenuates experimental chronic pancreatitis induced by trinitrobenzene sulfonic acid in rats
Authors: Tang Yu , Liao Yonghui , Kawaguchi‐Sakita Nobuko , Raut Vikram , Fakhrejahani Elham , Qian Niansong , Toi Masakazu 
Published: January 2011

AbstractBackground/purposeSinisan, a traditional Chinese medicine, is effective for the treatment of gastrointestinal disorders. In this study, we investigated the potential protective role of Sinisan against chronic pancreatitis (CP) in rats.MethodsCP was induced in rats by intrapancreatic injection of trinitrobenzene sulfonic acid (TNBS). Rats were randomly divided into a sham group, a TNBS‐induced CP group and a Sinisan‐treated group. Serum amylase and histological score were used to evaluate the severity of disease. The levels of tumor necrosis factor‐α (TNF‐α), interleukin‐1β (IL‐1β), cyclooxygenase‐2 (COX‐2), interleukin‐10 (IL‐10) and α‐smooth muscle actin (α‐SMA) were also measured in the three groups. Mechanical allodynia was measured with von Frey filaments. In addition, the protein levels of nerve growth factor (NGF) were measured in pancreatic tissues.ResultsAdministration of Sinisan significantly decreased the severity of CP. In the Sinisan‐treated group, serum amylase, TNF‐α, IL‐1β, COX‐2 and α‐SMA levels were lower and the level of IL‐10 was upregulated compared with the TNBS‐induced CP group. Furthermore, treatment with Sinisan significantly, though not completely, attenuated the allodynia. Simultaneously NGF expression was also significantly downregulated in the Sinisan‐treated group compared with the TNBS‐induced CP group.ConclusionsSinisan could be an effective treatment modality for CP via its anti‐inflammatory, anti‐fibrotic and analgesic properties. It may be a promising drug candidate for the treatment of patients with CP.
Aortic Insufficiency in a Patient with Reactive Arthritis: Case Report and Review of the Literature
Authors: Brown Lorrel E. , Forfia Paul , Flynn John A. 
Published: January 2011

Background Reactive arthritis (ReA) consists of the classic clinical triad of arthritis, urethritis, and conjunctivitis generally occurring within 6 weeks of an infection, typically of the gastrointestinal or genitourinary systems. Cardiovascular manifestations of ReA and other members of the spondyloarthritis family have long been recognized. Case Report A 43-year-old male who was human leukocyte antigen-27 (HLA-B27)-positive and who had ReA for 19 years developed severe aortic insufficiency requiring aortic valve replacement. Typically, the onset of musculoskeletal symptoms precedes development of aortic insufficiency by many years. The average calculated from reported cases was 13 years, with a range from 4 days to 61 years. The mechanism by which the aortic valve leaflets become targets in HLA-B27-associated disease is unclear. At one point, interest developed as to whether the HLA-B27 allele was independently associated with lone aortic insufficiency, in the absence of clinical spondylitis. The preponderance of cardiac abnormalities in patients with HLA-B27-positive ReA has led to the suggestion that a genetic syndrome of the heart consisting of aortic insufficiency and conduction-system abnormalities exists, and has been dubbed the “HLA-B27-associated cardiac syndrome”. This case highlights the importance of recognizing the association between HLA-B27-associated spondyloarthritis and serious aortic valvular complications. Conclusion Clinicians should maintain a high suspicion for aortic insufficiency in patients with ReA, including a low threshold for echocardiographic evaluation. A heightened awareness can lead to earlier identification and potential avoidance of fatal events in these patients.
Low Levels of the Omega‐3 Index are Associated with Sudden Cardiac Arrest and Remain Stable in Survivors in the Subacute Phase
Authors: Aarsetoey Hildegunn , Aarsetoey Reidun , Lindner Thomas , Staines Harry , Harris William S. , Nilsen Dennis W. T. 
Published: January 2011

AbstractIn previous studies, low blood levels of n‐3 fatty acids (FA) have been associated with increased risk of cardiac death, and the omega‐3 index (red blood cell (RBC) eicosapentaenoic acid (EPA) and docosahexaenoic acid (DHA) expressed as weight percentage of total FA) has recently been proposed as a new risk factor for death from coronary artery disease, especially following sudden cardiac arrest (SCA). As blood samples often haven been harvested after the event, the aim of our study was to evaluate the stability of RBC fatty acids following SCA. The total FA profile, including the omega‐3 index, was measured three times during the first 48 h in 25 survivors of out‐of‐hospital cardiac arrest (OHCA), in 15 patients with a myocardial infarction (MI) without SCA and in 5 healthy subjects. We could not demonstrate significant changes in the FA measurements in any of the groups, this also applied to the omega‐6/omega‐3 ratio and the arachidonic acid (AA)/EPA ratio. Furthermore, we compared the omega‐3 index in 14 OHCA‐patients suffering their first MI with that of 185 first‐time MI‐patients without SCA; mean values being 4.59% and 6.48%, respectively (p = 0.002). In a multivariate logistic regression analysis, a 1% increase of the omega‐3 index was associated with a 58% (95% CI: 0.25–0.76%) reduction in risk of ventricular fibrillation (VF). In conclusion, the omega‐3 index remained stable after an event of SCA and predicted the risk of VF.
Factors related to the prevalence of pathogenicYersinia enterocoliticaon pig farms
Authors: VIRTANEN S. E. , SALONEN L. K. , LAUKKANEN R. , HAKKINEN M. , KORKEALA H. 
Published: January 2011

SUMMARYA survey of 788 pigs from 120 farms was conducted to determine the within-farm prevalence of pathogenicYersinia enterocoliticaand a questionnaire of management conditions was mailed to the farms afterwards. A univariate statistical analysis with carriage and shedding as outcomes was conducted with random-effects logistic regression with farm as a clustering factor. Variables with aPvalue <0·15 were included into the respective multivariate random-effects logistic regression model. The use of municipal water was discovered to be a protective factor against carriage and faecal shedding of the pathogen. Organic production and buying feed from a certain feed manufacturer were also protective against total carriage. Tonsillar carriage, a different feed manufacturer, fasting pigs before transport to the slaughterhouse, higher-level farm health classification, and snout contacts between pigs were risk factors for faecal shedding. We concluded that differences in management can explain different prevalences ofY. enterocoliticabetween farms.
Changing risk profile of hepatitis A in The Netherlands: a comparison of seroprevalence in 1995–1996 and 2006–2007
Authors: VERHOEF L. , BOOT H. J. , KOOPMANS M. , MOLLEMA L. , VAN DER KLIS F. , REIMERINK J. , VAN PELT W. 
Published: January 2011

SUMMARYThe prevalence of antibodies to hepatitis A virus (HAV) was assessed in a nationwide sample (n=6229) in The Netherlands in 2006–2007, and compared to the seroprevalence in a similar study in 1995–1996 (n=7376). The overall seroprevalence increased from 34% in 1995–1996 to 39% in 2006–2007, mainly due to vaccination of travellers and an increased immigrant population. Risk factors remain travelling to, and originating from, endemic regions, and vaccination is targeted currently at these risk groups. Our results show a trend of increasing age of the susceptible population. These people would also benefit from HAV vaccination because they are likely to develop clinically serious symptoms after infection, and are increasingly at risk of exposure through imported viruses through foods or travellers. The cost-effectiveness of adding elderly people born after the Second World War as a target group for prophylactic vaccination to reduce morbidity and mortality after HAV infection should be assessed.
Multidrug-resistant Pseudomonas aeruginosa bloodstream infections: risk factors and mortality
Authors: TUMBARELLO M. , REPETTO E. , TRECARICHI E. M. , BERNARDINI C. , DE PASCALE G. , PARISINI A. , ROSSI M. , MOLINARI M. P. , SPANU T. , VISCOLI C. , CAUDA R. , BASSETTI M. 
Published: January 2011

SUMMARYWe retrospectively studied patients diagnosed with P. aeruginosa bloodstream infections (BSIs) in two Italian university hospitals. Risk factors for the isolation of multidrug-resistant (MDR) or non-MDR P. aeruginosa in blood cultures were identified by a case-case-control study, and a cohort study evaluated the clinical outcomes of such infections. We identified 106 patients with P. aeruginosa BSI over the 2-year study period; 40 cases with MDR P. aeruginosa and 66 cases with non-MDR P. aeruginosa were compared to 212 controls. Independent risk factors for the isolation of MDR P. aeruginosa were: presence of central venous catheter (CVC), previous antibiotic therapy, and corticosteroid therapy. Independent risk factors for non-MDR P. aeruginosa were: previous BSI, neutrophil count <500/mm3, urinary catheterization, and presence of CVC. The 21-day mortality rate of all patients was 33·9%. The variables independently associated with 21-day mortality were presentation with septic shock, infection due to MDR P. aeruginosa, and inadequate initial antimicrobial therapy.
Rice seed quality development and temperature during late development and maturation
Authors: Ellis Richard H. 
Published: January 2011

AbstractThe potential longevity of japonica rice (Oryza sativa L. subsp. japonica) seed is particularly sensitive to high temperature – and thus climate change – during development and maturation. Cultivar Taipei 309 was grown at 28/20°C (12 h/12 h) and then from 19 DAA (days after 50% anthesis), when seeds were just over half filled, at 28/20°C, 30/22°C, 32/24°C or 34/26°C (12 h/12 h). Whereas ability to germinate ex planta had been achieved in almost all seeds by 24 DAA, only half the population were desiccation tolerant. Desiccation tolerance continued to increase over the subsequent 28 d, similarly at all four temperatures. Subsequent longevity, assessed by p50 (period in days to reduce viability to 50% in hermetic storage at 40°C with c. 15% moisture content), increased progressively at 28/20°C until 38 DAA, and remained constant until the final harvest (52 DAA). The three warmer temperature regimes provided similar longevity to 28/20°C at any one harvest, except at 38 DAA where the warmest (34/26°C) was poorer. That temperature regime also provided greater seed-to-seed variability within each survival curve. The results confirm that appreciable improvement in seed quality occurs during seed development and also subsequent maturation in japonica rice, but that increase in temperature from 28/20°C to 34/26°C during late seed filling onwards has comparatively little effect thereon. Comparison with previous investigations suggests that seed quality development may be less sensitive to high temperatures during late development and maturation than during the early seed development that precedes it.
Transcriptional and antagonistic responses of Pseudomonas fluorescens Pf0-1 to phylogenetically different bacterial competitors
Authors: Garbeva Paolina , Silby Mark W , Raaijmakers Jos M , Levy Stuart B , de Boer Wietse 
Published: January 2011

Abstract
The ability of soil bacteria to successfully compete with a range of other microbial species is crucial for their growth and survival in the nutrient-limited soil environment. In the present work, we studied the behavior and transcriptional responses of soil-inhabiting Pseudomonas fluorescens strain Pf0-1 on nutrient-poor agar to confrontation with strains of three phylogenetically different bacterial genera, that is, Bacillus, Brevundimonas and Pedobacter. Competition for nutrients was apparent as all three bacterial genera had a negative effect on the density of P. fluorescens Pf0-1; this effect was most strong during the interaction with Bacillus. Microarray-based analyses indicated strong differences in the transcriptional responses of Pf0-1 to the different competitors. There was higher similarity in the gene expression response of P. fluorescens Pf0-1 to the Gram-negative bacteria as compared with the Gram-positive strain. The Gram-negative strains did also trigger the production of an unknown broad-spectrum antibiotic in Pf0-1. More detailed analysis indicated that expression of specific Pf0-1 genes involved in signal transduction and secondary metabolite production was strongly affected by the competitors’ identity, suggesting that Pf0-1 can distinguish among different competitors and fine-tune its competitive strategies. The results presented here demonstrate that P. fluorescens Pf0-1 shows a species-specific transcriptional and metabolic response to bacterial competitors and provide new leads in the identification of specific cues in bacteria–bacteria interactions and of novel competitive strategies, antimicrobial traits and genes.