bluuebunny/crossref_metadata_2025_split huggingface dataset:
The H + CO ⇌ HCO reaction studied by ab initio benchmark calculations
Authors: Peters Phillip S. , Duflot Denis , Wiesenfeld Laurent , Toubin Céline 
Published: October 2013

The title reaction has been calculated using complete active space self-consistent field and internally contracted multi-reference configuration interaction, including Davidson correction, calculations. Dunning's correlation consistent atomic basis sets, together with several complete basis set extrapolation schemes, were employed. Core-valence and scalar relativistic effects were also taken into account, as well as anharmonicity of the vibrational modes. Core-valence correlation appears to have a large impact on the calculated frequencies, spectroscopic constants, and on the energetics. In particular, the best estimate for the HCO (DCO) formation barrier height at 0 K, 4.54 ± 0.14 (4.43 ± 0.14) kcal mol−1 is larger than previous theoretical works and well above the usually accepted value of 2.0 ± 0.4 kcal mol−1, measured at room temperature. Inclusion of temperature and entropy at 298 K does not seem to be able to solve this discrepancy. The present theoretical barrier height is therefore the recommended value. The exo-ergicity of the HCO (DCO) dissociation reaction, predicted to be −13.36 ± 0.57 (−14.72 ± 0.57) kcal mol−1, is slightly below the experimental value. Finally, all tested density functionals fail to reproduce accurately both the formation and dissociation barriers.
Low fragment polyatomic molecular ion source by using permanent magnets
Authors: Takeuchi Mitsuaki , Hayashi Kyouhei , Imanaka Kousuke , Ryuto Hiromichi , Takaoka Gikan H. 
Published: October 2013

Electron-ionization-type polyatomic molecular ion source with low fragment was developed by using a pair of ring-shaped Sm-Co magnets. The magnets were placed forward and backward side of ionization part to confine electrons extracted from a thermionic cathode. Calculated electron trajectory of the developed ion source was 20 times longer than that of an ordinary outer filament configuration that has no magnetic confinement. Mass spectra of the molecular ions generated from n-tetradecane (C14H30) gas exhibited 4 times larger intensity than that of the ordinary configuration in a range of mass/charge from 93 to 210 u. This indicates that suppression of fragment ion was obtained by increase of low energy electrons resulted from the electron confinement.
Plasmonic antennas as design elements for coherent ultrafast nanophotonics
Authors: Brinks Daan , Castro-Lopez Marta , Hildner Richard , van Hulst Niek F. 
Published: October 2013

Significance
The focus of ultrafast science is rapidly moving toward increasingly complex systems, both on a fundamental level (such as quantum networks in diamond or excitonic coherence in photosynthesis) and in applied physics (such as multiphoton microscopy in membranes and cells). However, to disentangle the heterogeneous contributions to dynamics in such complex structures, femtosecond time resolution needs to be accompanied by nanometric spatial excitation volumes. Here we present preengineered plasmonic structures to amplitude-phase shape excitation pulses in a designed way, and thus deliver simultaneous deterministic spatial and temporal control. We expect these results to establish the reproducibility that ultrafast plasmonics needs to serve as a reliable and accurate tool for the investigation of femtosecond nanoscopic dynamics in complex systems.
Intracellular pH reduction prevents excitotoxic and ischemic neuronal death by inhibiting NADPH oxidase
Authors: Lam Tina I. , Brennan-Minnella Angela M. , Won Seok Joon , Shen Yiguo , Hefner Colleen , Shi Yejie , Sun Dandan , Swanson Raymond A. 
Published: October 2013

Significance
Activation of NMDA-type glutamate receptors produces neuronal excitotoxicity, a primary cause of cell death in stroke and other neurological disorders. This cell death process requires superoxide release by neuronal NADPH oxidase. Results presented here show that small reductions in intracellular pH uncouple neuronal NADPH oxidase from NMDA receptor activation, and thereby prevent neuronal death. The findings establish a link between metabolic activity and excitotoxicity, and identify a mechanism by which mild acidosis improves outcome after excitotoxic and ischemic brain insults. The findings also suggest that variations in intracellular pH associated with physiological brain activity may likewise influence the cell-to-cell signaling normally mediated by neuronal superoxide release.
(Don’t) Write My Lips: Interpretations of the Relationship between German Sign Language and German across Scales of SignWriting Practice
Authors: Hoffmann-Dilloway Erika 
Published: October 2013

AbstractPerceptions of boundaries between communicative codes and the modalities through which they are produced and perceived are mediated by social actors’ particular communicative repertoires and histories. I focus in particular on how the affordances of SignWriting (SW), a writing system for sign languages that has been adapted in Germany to additionally inscribe the physical movements by which spoken languages are produced, reveal and affect users’ diverse interpretations of the relationship between German Sign Language (DGS) and German. I examine the production and interpretation of DGS SW texts on two different scales: a classroom in Germany and a transnational, multilingual online network of SignWriters with whom classroom participants engage.
Pediatric Antimicrobial Susceptibility Trends across the United States
Authors: Tamma Pranita D. , Robinson Gwen L. , Gerber Jeffrey S. , Newland Jason G. , DeLisle Chloe M. , Zaoutis Theoklis E. , Milstone Aaron M. 
Published: October 2013

Objective.Antimicrobial susceptibility patterns across US pediatric healthcare institutions are unknown. A national pooled pediatric antibiogram (1) identifies nationwide trends in antimicrobial resistance, (2) allows across-hospital benchmarking, and (3) provides guidance for empirical antimicrobial regimens for institutions unable to generate pediatric antibiograms.Methods.In January 2012, a request for submission of pediatric antibiograms between 2005 and 2011 was sent to 233 US hospitals. A summary antibiogram was compiled from participating institutions to generate proportions of antimicrobial susceptibility. Temporal and regional comparisons were evaluated using χ² tests and logistic regression, respectively.Results.Of 200 institutions (85%) responding to our survey, 78 (39%) reported generating pediatric antibiograms, and 55 (71%) submitted antibiograms. Carbapenems had the highest activity against the majority of gram-negative organisms tested, but no antibiotic had more than 90% activity against Pseudomonas aeruginosa. Approximately 50% of all Staphylococcus aureus isolates were methicillin resistant. Western hospitals had significantly lower proportions of S. aureus that were methicillin resistant compared with all other regions tested. Overall, 21% of S. aureus isolates had resistance to clindamycin. Among Enterococcus faecium isolates, the prevalence of susceptibility to ampicillin (25%) and vancomycin (45%) was low but improved over time (P < .01), and 8% of E. faecium isolates were resistant to linezolid. Southern hospitals reported significantly higher prevalence of E. faecium with susceptibilities to ampicillin, vancomycin, and linezolid compared with the other 3 regions (P < .01).Conclusions.A pooled, pediatric antibiogram can identify nationwide antimicrobial resistance patterns for common pathogens and might serve as a useful tool for benchmarking resistance and informing national prescribing guidelines for children.
The Use of Best Practice Alerts with the Development of an Antimicrobial Stewardship Navigator to Promote Antibiotic De-escalation in the Electronic Medical Record
Authors: Schulz Lucas , Osterby Kurt , Fox Barry 
Published: October 2013

Objective.Develop a clinical decision support tool comprised of an electronic medical record alert and antimicrobial stewardship navigator to facilitate antimicrobial stewardship.Design.We analyzed alerts targeting antimicrobial de-escalation to assess the effectiveness of the navigator as a stewardship tool. The alert provides antimicrobial recommendations, then directs providers to the navigator, which includes order management, relevant patient information, evidence-based clinical information, and bidirectional communication capability.Setting.Academic, tertiary care medical center with an electronic medical record.Intervention.Alerts containing stewardship recommendations and immediate access to the navigator were created.Results.Antibiotic use and response data were collected 1 day before stewardship recommendation via the best practice alert (BPA) tool and 1 day after the BPA tool response. A total of 1,285 stewardship BPAs were created. Two hundred and forty-four (18.9%) of the BPAs were created and acted upon within 72 hours for the purpose of de-escalation: 169 (69%) were accepted, 30 (12%) were accepted with modification, and 45 (18%) were rejected. Statistically significant decreases in total antibiotic use as well as in use of broad-spectrum (anti-methicillin-resistant Staphylococcus aureus and anti-pseudomonal) agents occurred when accepted recommendations were compared with rejected recommendations.Conclusions.We describe the successful development of a clinical decision support tool to perform prospective audit and feedback comprised of an alert and navigator system featuring evidence-based recommendations and clinical and educational information. We demonstrate that this tool improves antibiotic use through our example of de-escalation.Clinical Trials Identifier.This project was registered at ClinicalTrials.gov (NCT01573195).
Identification of important regressor groups, subgroups and individuals via regularization methods: application to gut microbiome data
Authors: Garcia Tanya P. , Müller Samuel , Carroll Raymond J. , Walzem Rosemary L. 
Published: October 2013

AbstractMotivation: Gut microbiota can be classified at multiple taxonomy levels. Strategies to use changes in microbiota composition to effect health improvements require knowing at which taxonomy level interventions should be aimed. Identifying these important levels is difficult, however, because most statistical methods only consider when the microbiota are classified at one taxonomy level, not multiple.Results: Using L1 and L2 regularizations, we developed a new variable selection method that identifies important features at multiple taxonomy levels. The regularization parameters are chosen by a new, data-adaptive, repeated cross-validation approach, which performed well. In simulation studies, our method outperformed competing methods: it more often selected significant variables, and had small false discovery rates and acceptable false-positive rates. Applying our method to gut microbiota data, we found which taxonomic levels were most altered by specific interventions or physiological status.Availability: The new approach is implemented in an R package, which is freely available from the corresponding author.Contact: tpgarcia@srph.tamhsc.eduSupplementary information: Supplementary data are available at Bioinformatics online.
Electrophysiological Study for Nerve Root Entrapment in Patients With Isthmic Spondylolisthesis
Authors: Morita Masahiro , Miyauchi Akira , Okuda Shinya , Oda Takenori , Iwasaki Motoki 
Published: October 2013

Study Design:
A case series study.

Objective:
To investigate the electrophysiological location of nerve root entrapment in patients with isthmic spondylolisthesis.

Summary of Background Data:
Although the lesion of the nerve root in patients with isthmic spondylolisthesis has been thought to be located at the pars interarticularis due to proliferation of fibrous cartilage, there is no electrophysiological study in relation to this accomplished fact.

Methods:
We performed an electrophysiological study in 12 patients with isthmic spondylolisthesis during surgery. All patients presented with low-grade isthmic spondylolisthesis and unilateral radiculopathy, and underwent single-level posterior lumbar interbody fusion with instrumentation. After a total facetectomy, nerve root action potentials were recorded by stimulating the ipsilateral peroneal nerve at the popliteal fossa. Four needle electrodes were inserted into the affected nerve root at the intraspinal canal, pars interarticularis, disk level, and extralateral to the disk. The waveforms that showed either a positive waveform pattern or polyphasic waveform pattern were regarded as abnormal potentials. We also confirmed surgical records and preoperative images to investigate the relationship to the electrophysiological findings.

Results:
An abnormal waveform pattern was demonstrated at the pars interarticularis in 6 patients, at the disk level in 5, and at the extralateral site in 1. On the basis of the electrophysiological findings of this study, the nerve root lesion was not always found on only the pars interarticularis in patients with isthmic spondylolisthesis. A relationship between the electrophysiological findings and surgical records or preoperative images was not found.

Conclusions:
The electrophysiological investigation in this study shows that the nerve root entrapment in patients with isthmic spondylolisthesis occurs not only at the pars interarticularis but also distal to the isthmus. This study suggests the possibility of insufficiency of decompression only at the pars interarticularis for patients with isthmic spondylolisthesis.
Exogenous Pigment in Peyer Patches of Children Suspected of Having IBD
Authors: Hummel Thalia Z. , Kindermann Angelika , Stokkers Pieter C.F. , Benninga Marc A. , ten Kate Fiebo J.W. 
Published: October 2013

ABSTRACTObjectives:The base of human Peyer patches of the terminal ileum has been noted to contain black granular pigment deposits, composed of titanium dioxide and aluminosilicate, which are food additives typically present in a Western diet, and pharmaceuticals. In the present study, we investigated the distribution of exogenous pigment throughout the gastrointestinal tract of children suspected of having inflammatory bowel disease (IBD), the correlation between their age and the presence and amount of pigment in Peyer patches, and its relation to pediatric IBD.Methods:Biopsies (upper and lower gastrointestinal tract) from children suspected of having IBD who underwent endoscopy, were reassessed by a blinded, expert pathologist. The amount of pigment in biopsies was scored using a semiquantitative scale (range 0 to +++).Results:A total of 151 children were included: 62 with Crohn disease (CD), 26 with ulcerative colitis, and 63 with non‐IBD. In 63 children (42%), deposits of black pigment were found only in biopsies from the terminal ileum, located in Peyer patches. A significant correlation was found between increasing age and the amount of pigment (P = 0.004). Pigment deposits were found significantly less in the patients with CD compared with those in patients with ulcerative colitis and those with non‐IBD (26% vs 62% and 49%, P = 0.002).Conclusions:These results provide support for the hypothesis that the amount of pigment, only present in Peyer patches in the terminal ileum, becomes denser with increasing age. Absence of pigment in Peyer patches in a higher number of patients with CD suggests that microparticles may have become involved in the inflammatory process, possibly because of disrupted autophagy.
Comparison of Acoustic Radiation Force Impulse/Serum Noninvasive Markers for Fibrosis Prediction in Liver Transplant
Authors: Pinto Joana , Matos Hugo , Nobre Susana , Cipriano Maria A. , Marques Margarida , Pereira João M.S. , Gonçalves Isabel , Noruegas Maria J. 
Published: October 2013

ABSTRACTObjectives:Fibrosis, related to several causes, can be diagnosed in children and adolescents' liver grafts that are >1 year old. At present, liver biopsy is the gold standard for assessing liver damage in the posttransplant setting. We aimed to evaluate the accuracy of noninvasive biomarkers of fibrosis, namely, acoustic radiation force impulse (ARFI), aspartate‐to‐platelet ratio index, and aspartate aminotransferase/alanine aminotransferase (AST/ALT) ratio index, either alone or in combination, for predicting fibrosis in pediatric patients submitted to liver transplantation.Methods:We prospectively assessed liver fibrosis in 30 children/adolescents with liver transplant through biopsy (liver transplant follow‐up during 12 months). ARFI with Virtual Touch Software (Acuson 2000) was performed, and blood samples were taken to determine liver function and platelet count. Two groups were analyzed according to the histopathologic stage of fibrosis, namely, none/mild (F0–F1) versus significant fibrosis (F2‐4).Results:The mean age of the 30 patients was 11 years (3–18 years), with a mean posttransplant period of assessment of 6.5 years. Twenty‐four patients (80%) presented stage F0–F1 fibrosis and 6 patients (20%) presented stage F2‐4. The area under the curve using receiver operating characteristic analysis for ARFI, aspartate‐to‐platelet ratio index, and AST/ALT ratio index for significant fibrosis was 0.76 (P = 0.052), 0.74 (P = 0.066), and 0.69 (P = 0.162), respectively. Through multivariate logistic regression analysis, the only independent predictor of significant fibrosis was ARFI (odds ratio 10.7, 95% confidence interval 1.2–95.7; P = 0.045). The combination of ARFI and AST/ALT ratio index presented a good diagnostic accuracy of fibrosis (area under the curve of 0.83; P = 0.013).Conclusions:ARFI may serve as a potential method for assessing significant fibrosis in pediatric patients with liver transplant, particularly in combination with AST/ALT ratio index.
TheArabidopsisEukaryotic Translation Initiation Factor eIF5A-2 Regulates Root Protoxylem Development by Modulating Cytokinin Signaling
Authors: Ren Bo , Chen Qingguo , Hong Sulei , Zhao Wenming , Feng Jian , Feng Haizhong , Zuo Jianru 
Published: October 2013

AbstractThe phytohormone cytokinin regulates various aspects of plant growth and development, including root vascular development. In Arabidopsis thaliana, mutations in the cytokinin signaling components cause misspecification of protoxylem cell files. Auxin antagonizes cytokinin-regulated root protoxylem differentiation by inducing expression of ARABIDOPSIS PHOSPHOTRANSFER PROTEIN6 (AHP6), a negative regulator of cytokinin signaling. However, the molecular mechanism of cytokinin-regulated protoxylem differentiation is not fully understood. Here, we show that a mutation in Arabidopsis FUMONISIN B1-RESISTANT12 (FBR12), which encodes a eukaryotic translation initiation factor 5A, causes defective protoxylem development and reduced sensitivity to cytokinin. FBR12 genetically interacts with the cytokinin receptor CYTOKININ RESPONSE1 (CRE1) and downstream AHP genes, as double mutants show enhanced phenotypes. FBR12 forms a protein complex with CRE1 and AHP1, and cytokinin regulates formation of this protein complex. Intriguingly, ahp6 partially suppresses the fbr12 mutant phenotype, and the fbr12 mutation causes increased expression of AHP6, indicating that FBR12 negatively regulates AHP6. Consistent with this, ectopic expression of FBR12 in the CRE1-expressing domain partially rescues defective protoxylem development in fbr12, and overexpression of AHP6 causes an fbr12-like phenotype. These results define a regulatory role of the highly conserved FBR12 in cytokinin-mediated root protoxylem specification.
Are saving and investment cointegrated: evidence from some African countries' data
Authors: Odulukwe Onwuka Kevin , Obiefuna Augustine 
Published: October 2013

Purpose– The purpose of this paper is to test the Feldstein and Horioka (FH), theory that capital mobility should be low if there is high correlation between saving and investment, in some African countries.Design/methodology/approach– This paper tests the cointegration between saving and investment using bounds testing approach to cointegration and derive the long-run elasticities using autoregressive-distributed lag (ARDL) and Phillips-Hansen fully modified OLS for African countries over the period 1960-2008. This paper conducted the test for unit root properties using Augumented Dick-Fuller procedure.Findings– Their main findings are: investment and saving are strongly cointegrated for The Gambia and Burkina Faso and marginally cointegrated for Ghana, Mali, Cote d'Ivoire and Benin when investment is the dependent variable and there is evidence of cointegration between saving and investment when saving is the dependent variable for Senegal and Niger and no evidence of cointegration for Cameroon, Chad and Togo; the long-run coefficients on saving are low or negative implying low correlation. This paper concludes that Feldstein and Horioka theory could not be ruled out in African countries investigated.Originality/value– This paper is the original paper conducted on West African countries. This study has not across any paper bearing the same title on the countries of coverage.
One man's trash
Authors: McMullen Anthony 
Published: October 2013

Purpose
– This paper aims to provide insights into issues encountered in maintaining library technologies and electronic collections in changing times and on a limited budget with limited personnel.

Design/methodology/approach
– The paper uses real-world experiences and anecdotal evidence to provide commentary on progress and the future of libraries as it relates to letting go of traditional practices and procedures and embracing new ideas and directions.

Findings
– Weeding a large collection of materials with limited personnel and finances is no easy task. Aside from the functional aspects of handling and processing thousands of volumes there are emotional aspects to discarding that can be overwhelming for some. There is also the fear that one may be throwing away something useful or valuable.

Originality/value
– This paper is a light hearted piece on one librarian's experiences in taking part in a large-scale weeding project.