bluuebunny/crossref_metadata_2025_split huggingface dataset:
Linking a pharmaceutical claims database with a birth defects registry to investigate birth defect rates of suspected teratogens
Authors: Colvin Lyn , Slack‐Smith Linda , Stanley Fiona J. , Bower Carol 
Published: July 2010

AbstractPurposeData linkage of population administrative data is being investigated as a tool for pharmacovigilance in pregnancy in Australia. Records of prescriptions of known or suspected teratogens dispensed to pregnant women have been linked to a birth defects registry to determine if defects associated with medicine exposure can be detected.MethodsThe Pharmaceutical Benefits Scheme is a national claims database that has been linked with population‐based data to extract linkages for women with a pregnancy event in Western Australia from 2002 to 2005 (n = 106 074). Records of births to the women who were dispensed medicines in categories D or X of the Australian ADEC pregnancy risk category were linked to the Birth Defects Registry of Western Australia. Population rates of registered birth defects per 1000 births were calculated for each medicine.ResultsThere were 47 medicines dispensed at least once during pregnancy with 23 associated with a registered birth defect to a woman dispensed the medicine. When the birth defect rate for each medicine was compared with the rate for all other women not dispensed that medicine, most medicines showed an increased risk. Medicines with the higher risks were medroxyprogesterone acetate (OR: 1.8; 95%CI: 1.4–2.3), follitropin alfa (OR: 2.5; 95%CI: 1.2–5.0), carbamazepine (OR: 3.1; 95%CI: 1.7–5.6) and enalapril maleate (OR: 8.1; 95%CI: 1.6–41.7).ConclusionMany known associations between medicines and birth defects were identified, suggesting that linked administrative data could be an important means of pharmacovigilance in pregnancy in Australia. Copyright © 2010 John Wiley & Sons, Ltd.
Educational performance and attitudes toward school as risk‐protective factors for violence: A study of the Asian/Pacific Islander Youth Violence Prevention Center
Authors: Wegner Eldon L. , Garcia‐Santiago Orlando , Nishimura Stephanie T. , Hishinuma Earl S. 
Published: July 2010

AbstractThe purpose of this study was to examine whether school experiences, school performance, and other risk‐protective factors were related to violence among Hawaiian, Filipino, and Samoan youths residing in Hawai'i. This study analyzed survey data (N = 325) collected in three high schools having concentrations of Filipino, Hawaiian, and Samoan youths, as well as a smaller number of Japanese students, which served as a comparison group. The analyses consisted of bivariate and multivariate analyses of risk protection for violence. Two‐ and three‐way interactions were tested to examine whether there were specific gender and/or ethnic effects. The final model explained 29.3% of the variance in violent behavior. Five variables were significant: grade point average, pressure to choose between school and friends, favorable school attitude, feeling safe, and importance of college. Schools serving these populations should focus on fostering positive bonds between teachers and students and building bridges to families and neighborhoods. © 2010 Wiley Periodicals, Inc.
Comparison of correlates of classroom behavior problems in schools with and without a school‐wide character education program
Authors: Parker David C. , Nelson Jennifer S. , Burns Matthew K. 
Published: July 2010

AbstractSystem‐wide practices in schools should diminish the occurrence of children's problem behavior that is deleterious to academic achievement. The current study examined the relationship between variables that affect classroom behavior and observed behavior in schools with and without a theoretically based character education program. Observational data from 12 elementary schools compared control and treatment conditions on classroom disruption, and examined the influences of class size and percentage of students receiving a free or reduced price lunch (FRL). Results showed a weaker relationship between class size, FRL, and behavior problems within the character education schools than in control schools and that the character education program may have had a stronger influence in schools with a high percentage of students eligible for FRL. © 2010 Wiley Periodicals, Inc.
Protecs, a comprehensive and powerful storage and analysis system for OMICS data, applied for profiling the anaerobiosis response of Staphylococcus aureus COL
Authors: Fuchs Stephan , Mehlan Henry , Kusch Harald , Teumer Alexander , Zühlke Daniela , Berth Matthias , Wolf Carmen , Dandekar Thomas , Hecker Michael , Engelmann Susanne , Bernhardt Jörg 
Published: July 2010

AbstractBroad functional genomic studies call for comprehensive and powerful data repositories for storage of genome sequences, experimental information, protein identification data, protein properties and expression values. The better such data repositories can integrate and display complex data in a clear and structured way the more biologically meaningful conclusions or novel hypotheses can be derived from extensive omics data sets. This work presents the web accessible database system Protecs and how it was used to support analysis of 50 samples drawn from four Staphylococcus aureus cultivations under anaerobiosis. Protecs incorporates findings from visualization science, e.g. micro charts and heat maps in the user interface. Its integrated tools for expression data analysis in combination with TIGR Multi Experiment Viewer were used to highlight similar gene expression profiles in single or multiple experiments based on the continuously updated S. aureus master gel. Raw data analysis results are available online at www.protecs.uni‐greifswald.de. Our meta‐study revealed that S. aureus responds in different anaerobiotic experimental setups (growth without oxygen; growth without oxygen but with supplemental pyruvate and uracil; growth without oxygen but with NO; growth without oxygen but with NO and without functional nreABC genes) with a general anaerobiosis response. Among others, this response is characterized by an induction of fermentation enzymes (PflB, Ldh1, SACOL0135, SACOL0660) as well as the response regulator SrrA. Interestingly, especially genes with a high codon adaptation index highly overlap with anaerobically induced genes.
Shotgun proteome analysis utilising mixed mode (reversed phase‐anion exchange chromatography) in conjunction with reversed phase liquid chromatography mass spectrometry analysis
Authors: Phillips Helen L. , Williamson James C. , van Elburg Karin A. , Snijders Ambrosius P. L. , Wright Phillip C. , Dickman Mark J. 
Published: July 2010

AbstractThe 2‐D peptide separations employing mixed mode reversed phase anion exchange (MM (RP‐AX)) HPLC in the first dimension in conjunction with RP chromatography in the second dimension were developed and utilised for shotgun proteome analysis. Compared with strong cation exchange (SCX) typically employed for shotgun proteomic analysis, peptide separations using MM (RP‐AX) revealed improved separation efficiency and increased peptide distribution across the elution gradient. In addition, improved sample handling, with no significant reduction in the orthogonality of the peptide separations was observed. The shotgun proteomic analysis of a mammalian nuclear cell lysate revealed additional proteome coverage (2818 versus 1125 unique peptides and 602 versus 238 proteins) using the MM (RP‐AX) compared with the traditional SCX hyphenated to RP‐LC‐MS/MS. The MM analysis resulted in approximately 90% of the unique peptides identified present in only one fraction, with a heterogeneous peptide distribution across all fractions. No clustering of the predominant peptide charge states was observed during the gradient elution. The application of MM (RP‐AX) for 2‐D LC proteomic studies was also extended in the analysis of iTRAQ‐labelled HeLa and cyanobacterial proteomes using nano‐flow chromatography interfaced to the MS/MS. We demonstrate MM (RP‐AX) HPLC as an alternative approach for shotgun proteomic studies that offers significant advantages over traditional SCX peptide separations.
Analyzing protease specificity and detecting in vivo proteolytic events using tandem mass spectrometry
Authors: Gupta Nitin , Hixson Kim K. , Culley David E. , Smith Richard D. , Pevzner Pavel A. 
Published: July 2010

AbstractAlthough trypsin remains the most commonly used protease in MS, other proteases may be employed for increasing peptide coverage or generating overlapping peptides. Knowledge of the accurate specificity rules of these proteases is helpful for database search tools to detect peptides, and becomes crucial when label‐free MS is used to discover in vivo proteolytic cleavages. Since in vivo cleavages are inferred by subtracting digestion‐induced cleavages from all observed cleavages, it is important to ensure that the specificity rule used to identify digestion‐induced cleavages are broad enough to capture even minor cleavages produced in digestion, to avoid erroneously identifying them as in vivo cleavages. In this study, we describe MS‐Proteolysis, a software tool for identifying putative sites of in vivo proteolytic cleavage using label‐free MS. The tool is used in conjunction with digestion by trypsin and three other proteases, whose specificity rules are revised and extended before inferring proteolytic cleavages. Finally, we show that comparative analysis of multiple proteases can be used to detect putative in vivo proteolytic sites on a proteome‐wide scale.
Complete basis set, hybrid‐DFT study and NBO interpretations of conformational behaviors of trans‐2,3‐ and trans‐2,5‐dihalo‐1,4‐dithianes
Authors: Nori‐Shargh Davood , Boggs James E. 
Published: July 2010

AbstractThe conformational behaviors of trans‐2,3‐dihalo‐1,4‐dithiane [halo = F (1), Cl (2), Br (3)] and trans‐2,5‐dihalo‐1,4‐dithiane [halo = F (4), Cl (5), Br (6)] have been analyzed by means of complete basis set CBS‐4, hybrid‐density functional theory (B3LYP/6‐311 + G**//B3LYP/6‐311 + G**) based methods, and natural bond orbital (NBO) interpretation. Both methods showed that the axial conformations of compounds 1–5 are more stable than their equatorial conformations but CBS‐4 resulted in an equatorial preference for compound 6. The Gibbs free energy difference (Geq−Gax) values (i.e., ΔGeq–ax) at 298.15 K and 1 atm between the axial and equatorial conformations decrease from compound 1 to compound 2 but increase from compound 2 to compound 3. Also, the calculated ΔGeq–ax values decrease from compound 4 to compound 6. The NBO analysis of donor–acceptor (LP → σ*) interactions showed that the anomeric effect (AE) increase from compound 1 to compound 3 and also from compound 4 to compound 6. On the other hand, the calculated dipole moment values between the axial and equatorial conformations [Δ(µeq−µax)] decrease from compound 1 to compound 3. The conflict between the increase of AE and the decrease of Δ(µeq−µax) values could explain the variation of the calculated ΔGeq–ax for compounds 1–3. The Gibbs free energy difference values between the axial and equatorial conformations (i.e., ΔGax–ax and ΔGeq–eq) of compounds 1 and 4, 2 and 5 and also 3 and 6 have been calculated. The correlations between the AE, bond orders, pairwise steric exchange energies (PSEE), ΔGeq–ax, ΔGax–ax, ΔGeq–eq, dipole–dipole interactions, structural parameters, and conformational behaviors of compounds 1–6 have been investigated. Copyright © 2010 John Wiley & Sons, Ltd.
Plasma Surface Modification of Polycarbonate and Poly(propylene) Substrates for Biomedical Electrodes
Authors: Pedrosa Paulo , Chappé Jean‐Marie , Fonseca Carlos , Machado Ana Vera , Nóbrega João Miguel , Vaz Filipe 
Published: July 2010

AbstractThe effects of surface plasma treatments on the properties of PP and PC substrates were studied. Main results showed that the 0.48 Pa Ar treatment promoted the most favorable changes: roughness increased from 15 to 17 nm for PC and from 12 to 30 nm for PP, while the CA lowered from 95° to 59° and from 87° to 35° for PC and PP, respectively. The effects of the activation treatment on adhesion were checked by depositing a thin layer of TiNx on both untreated and 0.48 Pa Ar plasma treated PC samples, and the adhesion to both substrates compared using the standard X‐cut tape test. The Ar activated samples displayed better adhesion of the TiNx film than the untreated ones, confirming the benefits of the surface changes induced by the plasma treatments.magnified image
Risk Factors for Aspergillus Colonization and Allergic Bronchopulmonary Aspergillosis in Children With Cystic Fibrosis
Authors: Jubin Virginie , Ranque Stéphane , Stremler Le bel Nathalie , Sarles Jacques , Dubus Jean‐Christophe 
Published: July 2010

AbstractBackgroundThe annual prevalence of Aspergillus colonization (AC) and allergic bronchopulmonary aspergillosis (ABPA) has recently increased in pediatric patients with cystic fibrosis (CF). The reasons remain unclear although a number of factors have been suggested to be involved. This study was set up to investigate the association between potential predisposing factors, including new therapies recommended in CF, and the occurrence of AC or ABPA in children with CF.MethodsThe medical records of 85 children monitored regularly in the Pediatric Reference Centre for Cystic Fibrosis Care (RCCFC) of the University Hospital of Marseille (France) were analyzed from the first time they attended the RCCFC until either the occurrence of an end event, or their last visit to the RCCFC. Risk factors for AC or ABPA were analyzed by univariate and multivariate logistic regression.ResultsEight children developed ABPA and 18 had AC. In univariate analysis, ABPA was significantly associated with RhDNase therapy, sensitization to Alternaria and Candida, and a low body mass index (BMI). Multivariate analysis identified an independent association between low BMI and ABPA (OR = 10.6, 95% CI [2.2–51.8], P = 0.004), and for the first time, between long‐term azithromycin therapy and AC (OR = 6.4, 95% CI [2.1–19.5], P = 0.001). This latter association might be explained by the inhibitory effect of azithromycin on both the recruitment and the activation of neutrophils, which represent the first‐line defenses against Aspergillus.ConclusionsThe risk factors associated with AC and ABPA in children with CF identified in this comprehensive exploratory study now need to be confirmed in further prospective studies. Pediatr. Pulmonol. 2010; 45:764–771. © 2010 Wiley‐Liss, Inc.
Improved gas exchange and survival after KL‐4 surfactant in newborn pigs with severe acute lung injury
Authors: Zimmermann Anna M. , Roberts Kari D. , Lampland Andrea L. , Meyers Patricia A. , Worwa Cathy T. , Plumm Brenda , Pacheco M. Cristina , Wolfson Marla R. , Mammel Mark C. 
Published: July 2010

AbstractObjectiveTo determine the effectiveness of artificial surfactant therapy using KL‐4 surfactant in newborn pigs with hydrochloric acid (HCl)‐induced acute lung injury (ALI).DesignAfter induction of ALI via intratracheal HCl instillation, pigs were randomized to receive 5.8 ml/kg KL‐4 surfactant or no surfactant prior to extubation to bubble CPAP.SettingClinical laboratory.SubjectsSpontaneously breathing newborn pigs (<1 week of age).InterventionsTreatment with KL‐4 surfactant on bubble CPAP with PEEP of 6 cmH2O for 3.5 hr after extubation compared with controls.MeasurementsPhysiologic parameters and arterial blood gases were measured every 15 min. At the conclusion of the study, the lungs were excised for the analysis of histopathology and morphometric data.Main ResultsPigs treated with KL‐4 surfactant had arterial blood gases with less acidosis (P < 0.001), higher PaO2 levels (P < 0.001), and lower PaCO2 levels (P < 0.001). Pigs treated with KL‐4 surfactant had improved survival compared with controls (6/12 KL‐4, 2/12 control, P < 0.05). Postmortem morphometric data demonstrated that pigs treated with KL‐4 surfactant had larger (P < 0.05) exchange units in the caudal‐dorsal lung as compared to relatively atelectatic region in the control animals.ConclusionsIn newborn pigs with severe HCl‐induced ALI, treatment with KL‐4 surfactant resulted in improved respiratory parameters, less dependent atelectasis, and improved short‐term survival. Pediatr. Pulmonol. 2010; 45:782–788. © 2010 Wiley‐Liss, Inc.
Pilot study: The effect of reducing treatment on exercise induced bronchoconstriction
Authors: Kersten E.T.G. , Driessen J.M.M. , van Leeuwen J.C. , Thio B.J. 
Published: July 2010

AbstractRationaleAsthma therapy should be stepped up or stepped down in response to changes in asthma control. However, there is little evidence available on the optimal timing, sequence, and degree of medication reductions. In this study we analyzed clinically stable asthmatic children who underwent a medication reduction from a combination preparation consisting of an inhaled corticosteroid (ICS) and long acting beta2‐agonist (LABA) to monotherapy with the same dose of the ICS. We hypothesized that the extent of exercise‐induced bronchoconstriction (EIB) would not increase after the cessation of the LABA.MethodsNineteen children, aged 8–16 years, with clinically stable asthma, receiving LABA/ICS combination therapy, were analyzed in this open‐label pilot study. Children performed an exercise challenge at baseline and 3 weeks after the medication reduction. Best values of spirometric measurements of the forced expiratory volume in 1 sec (FEV1) were used for statistical calculations.ResultsMaximum percent fall in FEV1 was significantly lower after 3 weeks of ICS monotherapy (P = 0.03). Eight of 19 children had a ≥15% fall in FEV1 after exercise at the initial exercise challenge. In this subgroup, maximum percent fall in FEV1 after the medication reduction was significantly lower (P < 0.01), and in six children it decreased to <15%, indicating they no longer had EIB.ConclusionIn clinically stable asthmatic children on LABA/ICS combination therapy, the cessation of the LABA can reduce and in most cases abolish EIB. Pediatr. Pulmonol. 2010; 45:927–933. © 2010 Wiley‐Liss, Inc.
Spherical and hyperspherical representation of potential energy surfaces for intermolecular interactions
Authors: Palazzetti Federico , Munusamy Elango , Lombardi Andrea , Grossi Gaia , Aquilanti Vincenzo 
Published: July 2010

AbstractThe definition of a proper set of coordinates is desirable for the representation of the potential energy surfaces that accounts faithfully also for the symmetry properties of the systems. The expansion in harmonics corresponding to spherical and hyperspherical mapping for atomic and molecular interactions is considered in the present article. The choice of a few but significant configurations, “leading configurations,” relies upon considerations about the geometrical features of the systems. Their minimal number depends on the symmetry property and on the number of coordinates of the problem, and allows us to determine the expansion moments of the interaction potentials, to be used for bound state and dynamical calculations. Here, we report an outlook of prescriptions for the choice of leading configurations, which provides the expansion of the potential energy surface for interacting closed shell systems, such as linear‐molecule–linear‐molecule, floppy‐molecule–rare‐gas‐atom, and nonlinear‐molecule–linear‐molecule. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
The role of rotational relaxation in the intersystem crossing between a triplet and a singlet electronic state
Authors: Rashev Svetoslav , Moule David C. , Judge Richard H. 
Published: July 2010

AbstractA calculation of the rate of ISC (intersystem crossing) relaxation at 0 K requires a knowledge of the spin–orbit coupling and the vibrational overlap integrals (Franck‐Condon factors) between the T1 and S0 states. At elevated temperatures, the population of the rotational states needs to be taken into account through the overlap of the rotational wavefunctions between the interacting T1/S0 electronic states. Here, we discuss the effect of the ISC singlet–triplet selection rules on the number and magnitude of the rotational overlap factors for the J = 0, 5, and 10 rotational levels of thiophosgene, Cl2CS. Of equal importance is the influence of the spin–spin and spin‐rotation coupling on the rotational fragmentation factors and the ISC survival probability. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
The effects of counter cation on oxide ion conductivity: In the case of Sr‐doped LaAlO3 perovskite
Authors: Onishi Taku 
Published: July 2010

AbstractMany research activities on the solid‐state oxide fuel cell (SOFC) have been performed for production of electronic energy without fossil fuel. To design the efficient SOFC electrolyte, we should clarify the detailed mechanism on oxide ion conduction. LaAlO3 perovskite has been much expected as the electrolyte material. It is known that strontium doping at lanthanum site lowers the activation energy for the oxide ion conduction. In this study, we have investigated the mechanism of the activation energy decrease in strontium‐doped LaAlO3 by the cluster model calculations based on hybrid density functional theory. It was concluded that the ionic and covalent bonds between counter cation and conductive oxide ion is responsible for the activation energy change. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2010
Estimation problems for a class of impulsive systems
Authors: Belkoura L. , Floquet T. , Ibn Taarit K. , Perruquetti W. , Orlov Y. 
Published: July 2010

AbstractThis paper deals with on‐line identification of continuous‐time systems subject to impulsive terms. Using a distribution framework, a scheme is proposed in order to annihilate singular terms in differential equations representing a class of impulsive systems. As a result, an online estimation of unknown parameters is provided, regardless of the switching times or the impulse rules. Numerical simulations of physical processes with noisy data are illustrating our methodology and results. Copyright © 2010 John Wiley & Sons, Ltd.
An Approach of Adaptive Control for Robot Manipulators
Authors: Lee C. S. G. , Chung M. J. , Lee B. H. 
Published: July 2010

AbstractThis paper presents the study of an adaptive control which tracks a desired time‐based trajectory as closely as possible for all times over a wide range of manipulator motion and payloads both in joint‐variable coordinates and Cartesian coordinates. The proposed adaptive control is based on the linearized perturbation equations in the vicinity of a nominal trajectory. The controlled system is characterized by feedforward and feedback components which can be computed separately and simultaneously. The feedforward component computes the nominal torques from the Newton‐Euler equations of motion either using the resolved joint information or the joint information from the trajectory planning program. This computation can be completed in O(n) time. The feedback component consisting of recursive least square identification and one‐step optimal control algorithms for the linearized system computes the perturbation torques in O(n3) time. Because of the parallel structure, the computations of the adaptive control may be implemented in low‐cost microprocessors. A computer simulation study Was conducted to evaluate the performance of the adaptive control in joint‐variable coordinates for a three‐joint robot arm. The feasibility of implementing the adaptive control in Cartesian coordinates using present day low‐cost microprocessors is discussed.
Estimation of Three‐Dimensional Object Orientation for Computer Vision Systems with Feedback
Authors: Lin W. C. , Fu K. S. , Sederberg T. 
Published: July 2010

AbstractThe determination of orientation information of a 3D object is a crucial step in hypothesis‐verification approach to object recognition. In this paper. two approaches are presented to estimate the orientation parameters of a 3D object from a single image. The first one is based on camera model estimation and analysis. The second one is a hierarchical search method. Simulation experiments are conducted to evaluate the performance of the estimations.