bluuebunny/crossref_metadata_2025_split huggingface dataset:
Excited‐State Dynamics of a Two‐Photon‐Activatable Ruthenium Prodrug
Authors: Greenough Simon E. , Horbury Michael D. , Smith Nichola A. , Sadler Peter J. , Paterson Martin J. , Stavros Vasilios G. 
Published: December 2015

AbstractWe present a new approach to investigate how the photodynamics of an octahedral ruthenium(II) complex activated through two‐photon absorption (TPA) differ from the equivalent complex activated through one‐photon absorption (OPA). We photoactivated a RuII polypyridyl complex containing bioactive monodentate ligands in the photodynamic therapy window (620–1000 nm) by using TPA and used transient UV/Vis absorption spectroscopy to elucidate its reaction pathways. Density functional calculations allowed us to identify the nature of the initially populated states and kinetic analysis recovers a photoactivation lifetime of approximately 100 ps. The dynamics displayed following TPA or OPA are identical, showing that TPA prodrug design may use knowledge gathered from the more numerous and easily conducted OPA studies.
[Co2(CO)6(Alkynyl)] Complexes of Dibenzosuberyl and Dibenzosuberenyl Carbocations: Dibenzotropylium or Dibenzoheptafulvene?
Authors: Harris Michelle , Brusey Sarah A. , Moore Angela , Ortin Yannick , Müller‐Bunz Helge , Manca Gabriele , Mealli Carlo , McGlinchey Michael J. 
Published: December 2015

AbstractThe reaction of dibenzo[a,d]cycloheptan‐5‐one (dibenzosuberone) and dibenzo[a,d]cyclohept‐10‐en‐5‐one (dibenzosuberenone) with aryl‐ or trimethylsilylacetylides led to the formation of the corresponding alkynyldibenzosuberols and alkynyldibenzosuberenols. Treatment with dicobalt octacarbonyl and then with bis(diphenylphosphino)methane (dppm) furnished the corresponding [Co2(CO)4(dppm)(alkynol)] clusters 25 and 29. Upon protonation with HBF4 at 203 K to generate the relevant cobalt‐stabilised cations, the dibenzosuberyl system 30 exhibited fluxionality such that the cation migrated between cobalt centres. Variable‐temperature 31P NMR spectroscopy revealed a barrier of approximately 12.5 kcal mol−1. In contrast, in the supposedly aromatic [Co2(CO)4(dppm)(dibenzosuberenyl)]+ cation (31), which would be expected to have less need of cobalt stabilisation, the barrier was too high to be measured experimentally, but is certainly in excess of 16 kcal mol−1. These data were rationalised by DFT calculations on the structures and energies of the relevant ground states and transition states, which suggested that the nonplanar alkynyldibenzosuberenyl moiety in 31 is better regarded as a neutral dibenzoheptafulvene coordinated to a cationic alkynyl–dicobalt cluster. The question of the bonding of both aromatic and antiaromatic cations to alkyne–dicobalt clusters is considered, and it is proposed that their stabilities, when complexed, parallel the inversion of (4n+2) π and 4n π systems seen under photochemical conditions.
Amide‐Triazolium‐Appended Anthracenes for Turn‐On Fluorescence Sensing of Anions in Noncompetitive and Competitive Solvents
Authors: Wang Zhi‐Cheng , Wang Zichen , Cao Qian‐Yong , Lin Sen , Wang Zhong‐Wei 
Published: December 2015

AbstractA new anthracene‐based receptor bearing two arms of amide‐triazolium anion‐binding sites, and its counterpart compound with one amide‐triazolium arm, have been synthesized and characterized. Their ability to bind anions in different solvents (CH3CN, CHCl3 and DMSO) has been investigated in detail by using fluorescence techniques. Both compounds exhibited significant fluorescence turn‐on sensing of F− and H2PO4− ions in noncompetitive and competitive environments with different binding modes. In CH3CN and CHCl3, the receptor with two triazoliums binds H2PO4− in 1:1 and 1:2 host–guest complexes, showing anthracene‐based excimer emission in the 1:1 complex, and strong monomer emission in the 1:2 complex. In DMSO, only the 1:1 stoichiometric complex was detected. In contrast, it binds with F− and AcO− with 1:2 stoichiometry both in noncompetitive and competitive solvents. The anion‐binding mechanism of both compounds was also evaluated by 1H NMR spectrometric titration and density functional theory calculation.
Simplified design concept for slender masonry walls / Vereinfachter Stabilitätsnachweis knickgefährdeter Mauerwerkswände
Authors: Graubner Carl‐Alexander , Förster Valentin 
Published: December 2015

AbstractThe verification of safety against buckling of unreinforced masonry walls according to the accurate design procedure of EN 1996‐1‐1 Appendix G is based on semi‐empirical approaches, which do not always realistically describe the load‐bearing behaviour. This statement is also supported by an objection of the country Denmark concerning the load capacity function which is regulated in Appendix G. Using new findings about the effects of non‐linear material behaviour in case of stability failure this article investigates fundamental questions about the buckling behaviour of masonry walls and transfers these into a simple practical structural design proposal. As a result, the load capacity function can be considerably simplified, the influence of creep can be integrated and the number of input parameters can be reduced.
Fifty Years of π‐Conjugated Triaz­enes
Authors: Patil Siddappa , Bugarin Alejandro 
Published: December 2015

AbstractThis microreview describes synthetic methodologies, properties, and applications of π‐conjugated triazenes, derived from coupling of different N‐heterocyclic carbenes (NHCs), following reactions with diverse azides. Recently, promising results have been achieved by utilizing such triazenes in a variety of important organic transformations. These early accomplishments clearly emphasize the great potential of utilizing π‐conjugated triazenes in diverse fields of research. Specifically, synthesis of new organic molecules containing N‐heterocycles and azide moieties for applications into organic chemistry and material science are highlighted herein. In summary, this microreview encompasses fifty years of π‐conjugated triazenes (1965–2015) chemistry.
The effects of ciprofloxacin on early life stages of common carp (Cyprinus carpio)
Authors: Zivna Dana , Plhalova Lucie , Chromcova Lucie , Blahova Jana , Prokes Miroslav , Skoric Misa , Marsalek Petr , Praskova Eva , Stepanova Stanislava , Svobodova Zdenka 
Published: December 2015

Abstract

The authors performed a toxicity test with ciprofloxacin in fertilized eggs of common carp according to guideline 210 of the Organisation for Economic Co-operation and Development. The tested concentrations were 1 μg L−1, 100 μg L−1, 500 μg L−1, 1000 μg L−1, and 3000 μg L−1. Accelerated hatching was found in all groups exposed to ciprofloxacin, but significant growth reduction was found only in the group exposed to the highest concentration (3000 μg L−1). Increased numbers of macroscopic morphological anomalies were observed on day 6 of the test (after hatching). The highest numbers of macroscopic morphological anomalies were observed in the groups of free embryos and larvae exposed to ciprofloxacin concentrations of 100 μg L−1, 500 μg L−1, 1000 μg L−1, and 3000 μg L−1 (20−23% of tested samples). A gradual decrease in glutathione S-transferase activity was detected in all experimental groups exposed to ciprofloxacin, but significant differences (p &lt; 0.01) were found only in groups treated with 500 μg L−1 and 3000 μg L−1. Glutathione peroxidase and catalase exhibited increased activity in most of the tested concentrations (p &lt; 0.01 and &lt;0.05, respectively), whereas decreased glutathione reductase activity was found in the groups exposed to ciprofloxacin concentrations of 500 μg L−1 and 3000 μg L−1 (p &lt; 0.05). The concentration of thiobarbituric acid–reactive substances was significantly lower (p &lt; 0.01) in all experimental groups exposed to ciprofloxacin. The lowest-observed-effect concentration of ciprofloxacin was 1 μg L−1. These results suggest that hatching, early ontogeny, occurrence of morphological anomalies, antioxidant and biotransformation enzyme activity, and lipid peroxidation in fish can be affected by ciprofloxacin. Environ Toxicol Chem 2016;35:1733–1740. © 2015 SETAC
Fluid interface detection technique based on neighborhood particles centroid deviation (NPCD) for particle methods
Authors: Tsukamoto Marcio Michiharu , Cheng Liang‐Yee , Motezuki Fabio Kenji 
Published: December 2015

SummaryParticle‐based CFD methods are powerful approaches to investigate free surface, multiphase flows, and fluid structure interaction problems because of their ability of tracking moving fluid interface even with huge deformations or fragmentation and merging. However, many fluid interface particle detection techniques are simple to implement but with low accuracy or provide relatively good detection results at complicated implementation cost or higher computational time. In case of incompressible flow simulation methods solving the Poisson equation of pressure, such as the moving particle semi‐implicit method, boundary particles detection techniques' accuracy affects precision and stability of pressure computation and interaction between fluid phases. In the present work, a new fluid interface particle detection technique is proposed to improve the accuracy of the boundary particles detection and keep the implementation easy. Denominated as the neighborhood particles centroid deviation technique, it is a two‐criteria technique based on the particle number density and the neighborhood particles weighted geometric center deviation. Compared with other techniques, the proposed neighborhood particles centroid deviation technique shows the best results by eliminating false interface particles inside the fluid domain and keeping the interface particles layer thin and regular. As a result, relatively stable pressure time histories and more consistent pressure and velocity fields are achieved. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.
Costs and Quality at the Hospital Level in the Nordic Countries
Authors: Kittelsen Sverre A. C. , Anthun Kjartan S. , Goude Fanny , Huitfeldt Ingrid M. S. , Häkkinen Unto , Kruse Marie , Medin Emma , Rehnberg Clas , Rättö Hanna ,   on behalf of the EuroHOPE study group
Published: December 2015

AbstractThis article develops and analyzes patient register‐based measures of quality for the major Nordic countries. Previous studies show that Finnish hospitals have significantly higher average productivity than hospitals in Sweden, Denmark, and Norway and also a substantial variation within each country. This paper examines whether quality differences can form part of the explanation and attempts to uncover quality–cost trade‐offs.Data on costs and discharges in each diagnosis‐related group for 160 acute hospitals in 2008–2009 were collected. Patient register‐based measures of quality such as readmissions, mortality (in hospital or outside), and patient safety indices were developed and case‐mix adjusted. Productivity is estimated using bootstrapped data envelopment analysis.Results indicate that case‐mix adjustment is important, and there are significant differences in the case‐mix adjusted performance measures as well as in productivity both at the national and hospital levels. For most quality indicators, the performance measures reveal room for improvement. There is a weak but statistical significant trade‐off between productivity and inpatient readmissions within 30 days but a tendency that hospitals with high 30‐day mortality also have higher costs. Hence, no clear cost–quality trade‐off pattern was discovered. Patient registers can be used and developed to improve future quality and cost comparisons. Copyright © 2015 John Wiley & Sons, Ltd.
Variations and Determinants of Mortality and Length of Stay of Very Low Birth Weight and Very Low for Gestational Age Infants in Seven European Countries
Authors: Fatttore Giovanni , Numerato Dino , Peltola Mikko , Banks Helen , Graziani Rebecca , Heijink Richard , Over Eelco , Klitkou Søren Toksvig , Fletcher Eilidh , Mihalicza Péter , Sveréus Sofia 
Published: December 2015

AbstractThe EuroHOPE very low birth weight and very low for gestational age infants study aimed to measure and explain variation in mortality and length of stay (LoS) in the populations of seven European nations (Finland, Hungary, Italy (only the province of Rome), the Netherlands, Norway, Scotland and Sweden). Data were linked from birth, hospital discharge and mortality registries. For each infant basic clinical and demographic information, infant mortality and LoS at 1 year were retrieved. In addition, socio‐economic variables at the regional level were used. Results based on 16 087 infants confirm that gestational age and Apgar score at 5 min are important determinants of both mortality and LoS. In most countries, infants admitted or transferred to third‐level hospitals showed lower probability of death and longer LoS. In the meta‐analyses, the combined estimates show that being male, multiple births, presence of malformations, per capita income and low population density are significant risk factors for death. It is essential that national policies improve the quality of administrative datasets and address systemic problems in assigning identification numbers at birth. European policy should aim at improving the comparability of data across jurisdictions. Copyright © 2015 John Wiley & Sons, Ltd.
Comparative Analysis of Treatment Costs in EUROHOPE
Authors: Iversen Tor , Aas Eline , Rosenqvist Gunnar , Häkkinen Unto ,   on behalf of the EuroHOPE study group
Published: December 2015

SummaryThis study examines the challenges of estimating risk‐adjusted treatment costs in international comparative research, specifically in the European Health Care Outcomes, Performance, and Efficiency (EuroHOPE) project. We describe the diverse format of resource data and challenges of converting these data into resource use indicators that allow meaningful cross‐country comparisons. The three cost indicators developed in EuroHOPE are then described, discussed, and applied. We compare the risk‐adjusted mean treatment costs of acute myocardial infarction for four of the seven countries in the EuroHOPE project, namely, Finland, Hungary, Norway, and Sweden. The outcome of the comparison depends on the time perspective as well as on the particular resource use indicator. We argue that these complementary indicators add to our understanding of the variation in resource use across countries. Copyright © 2015 John Wiley & Sons, Ltd.
Development of a regionally sensitive water-productivity indicator to identify sustainable practices for sugarcane growers
Authors: Brauman Kate A , Viart Nicolas 
Published: December 2015

Abstract
Standards that credibly and effectively certify sustainable commodity production are important to both producers and consumers. Agriculture is the dominant user of water worldwide, so water sustainability in agriculture is an area of particular interest. In conjunction with Bonsucro, a sustainability standard setting body for the sugarcane sector, an indicator was developed to ensure that water consumed in sugarcane cultivation is used productively (i.e., that producers achieve high “crop per drop”). To be easily measurable, sugarcane water productivity was adapted so that yield could be compared within a climate zone in which water demand is assumed to be uniform. The indicator identifies efficient performers, defined as those exceeding median historical yield in each climate zone, with rainfed and irrigated systems evaluated separately. Both the expert-driven and stakeholder-driven aspects of standard development are discussed. We address the advantages and the limitations of this new indicator, its potential application to other crops, and the possibility of improvement to include further criteria. Integr Environ Assess Manag 2016;12:811–820. © 2015 SETAC
Dose‐Response Analysis of the Effect of Carbidopa‐Levodopa Extended‐Release Capsules (IPX066) in Levodopa‐Naive Patients With Parkinson Disease
Authors: Mao Zhongping Lily , Modi Nishit B. 
Published: December 2015

AbstractParkinson disease is an age‐related disorder of the central nervous system principally due to loss of dopamine‐producing cells in the midbrain. Levodopa, in combination with carbidopa, is widely regarded as an effective treatment for the symptoms of Parkinson disease. A dose‐response relationship is established for carbidopa‐levodopa extended‐release capsules (IPX066) in levodopa‐naive Parkinson disease patients using a disease progression model. Unified Parkinson Disease Rating Scale (UPDRS) part II plus part III scores from 171 North American patients treated with placebo or IPX066 for approximately 30 weeks from a double‐blind, parallel‐group, dose‐ranging study were used to develop the pharmacodynamic model. The model comprised 3 components: a linear function describing disease progression, a component describing placebo (or nonlevodopa) effects, and a component to describe the effect of levodopa. Natural disease progression in early Parkinson disease as measured by UPDRS was 11.6 units/year and faster in patients with more severe disease (Hoehn‐Yahr stage 3). Maximum placebo/nonlevodopa response was 23.0% of baseline UPDRS. Maximum levodopa effect from IPX066 was 76.7% of baseline UPDRS, and the ED50 was 450 mg levodopa. Equilibration half‐life for the effect compartment was 62.8 days. Increasing age increased and being female decreased equilibration half‐life. The quantitative model allowed description of the entire time course of response to clinical trial intervention.
In vivo γ‐aminobutyric acid measurement in rats with spectral editing at 4.7T
Authors: Sawiak Stephen J. , Jupp Bianca , Taylor Tom , Caprioli Daniele , Carpenter T. Adrian , Dalley Jeffrey W. 
Published: December 2015

PurposeTo evaluate the feasibility of spectral editing for quantification of γ‐aminobutyric acid (GABA) in the rat brain and to determine whether altered GABA concentration in the ventral striatum is a neural endophenotype associated with trait‐like impulsive behavior.Materials and MethodsSpectra were acquired at 4.7T for 23 male Lister‐hooded rats that had been previously screened for extremely low and high impulsivity phenotypes on an automated behavioral task (n = 11 low‐impulsive; n = 12 high‐impulsive). Voxels of 3 × 7 × 4 mm3 (84 μL) centered bilaterally across the ventral striatum were used to evaluate GABA concentration ratios.ResultsQuantifiable GABA signals in the ventral striatum were obtained for all rats. Mean‐edited GABA to n‐acetyl aspartate (NAA) ratios in the ventral striatum were 0.22 (95% confidence interval [CI] [0.18, 0.25]). Mean GABA/NAA ratios in this region were significantly decreased by 28% in high‐impulsive rats compared to low‐impulsive rats (P = 0.02; 95% CI [–53%, –2%]).ConclusionThese findings demonstrate that spectral editing at 4.7T is a feasible method to assess in vivo GABA concentrations in the rat brain. The results show that diminished GABA content in the ventral striatum may be a neural endophenotype associated with impulsivity. J. Magn. Reson. Imaging 2016;43:1308–1312.
Mitochondrially Targeted Nanoparticles Based on α‐TOS for the Selective Cancer Treatment
Authors: Palao‐Suay Raquel , Rodrigáñez Laura , Aguilar María Rosa , Sánchez‐Rodríguez Carolina , Parra Francisco , Fernández Mar , Parra Juan , Riestra‐Ayora Juan , Sanz‐Fernández Ricardo , Román Julio San 
Published: December 2015

The aim of this work is the preparation of an active nanovehicle for the effective administration of α‐tocopheryl succinate (α‐TOS). α‐TOS is loaded in the core of nanoparticles (NPs) based on amphiphilic pseudo‐block copolymers of N‐vinyl pyrrolidone and a methacrylic derivative of α‐TOS. These well‐defined spherical NPs have sizes below 165 nm and high encapsulation efficiencies. In vitro activity of NPs is tested in hypopharynx squamous carcinoma (FaDu) cells and nonmalignant epithelial cells, demonstrating that the presence of additional α‐TOS significantly enhances its antiproliferative activity; however, a range of selective concentrations is observed. These NPs induce apoptosis of FaDu cells by activating the mitochondria death pathway (via caspase‐9). Both loaded and unloaded NPs act via complex II and produce high levels of reactive oxygen species that trigger apoptosis. Additionally, these NPs effectively suppress the vascular endothelial growth factor (VEGF) expression of human umbilical vein endothelial cells (HUVECs). These results open the possibility to use this promising nanoformulation as an α‐TOS delivery system for the effective cancer treatment, effectively resolving the current limitations of free α‐TOS administration.
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Zwitterionic Cellulose Carbamate with Regioselective Substitution Pattern: A Coating Material Possessing Antimicrobial Activity
Authors: Elschner Thomas , Lüdecke Claudia , Kalden Diana , Roth Martin , Löffler Bettina , Jandt Klaus D. , Heinze Thomas 
Published: December 2015

A polyzwitterion is synthesized by regioselective functionalization of cellulose possessing a uniform charge distribution. The positively charged ammonium group is present at position 6, while the negative charge of carboxylate is located at positions 2 and 3 of the repeating unit. The molecular structure of the biopolymer derivative is proved by NMR spectroscopy. This cellulose‐based zwitterion is applied to several support materials by spin‐coating and characterized by means of atomic force microscope, contact angle measurements, ellipsometry, and X‐ray photoelectron spectroscopy. The coatings possess antimicrobial activity depending on the support materials (glass, titanium, tissue culture poly(styrene)) as revealed by confocal laser scanning microscopy and live/dead staining.
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Coffee consumption rapidly reduces background DNA strand breaks in healthy humans: Results of a short‐term repeated uptake intervention study
Authors: Bakuradze Tamara , Lang Roman , Hofmann Thomas , Schipp Dorothea , Galan Jens , Eisenbrand Gerhard , Richling Elke 
Published: December 2015

ScopeIntervention studies provide evidence that long‐term coffee consumption correlates with reduced DNA background damage in healthy volunteers. Here, we report on short‐term kinetics of this effect, showing a rapid onset after normal coffee intake.Methods and resultsIn a short‐term human intervention study, we determined the effects of coffee intake on DNA integrity during 8 h. Healthy male subjects ingested coffee in 200 mL aliquots every second hour up to a total volume of 800 mL. Blood samples were taken at baseline, immediately before the first coffee intake and subsequently every 2 h, prior to the respective coffee intake. DNA integrity was assayed by the comet assay. The results show a significant (p < 0.05) reduction of background DNA strand breaks already 2 h after the first coffee intake. Continued coffee intake was associated with further decrements in background DNA damage within the 8 h intervention (p < 0.01 and p < 0.001, respectively). Mean tail intensities (TIs%) decreased from 0.33 TI% (baseline, 0 h) to 0.22 TI% (within 8 h coffee consumption).ConclusionRepeated coffee consumption was associated with reduced background DNA strand breakage, clearly measurable as early as 2 h after first intake resulting in a cumulative overall reduction by about one‐third of the baseline value.