bluuebunny/crossref_metadata_2025_split huggingface dataset:
ChemInform Abstract: Antioxidant Flavone Glycosides and Other Constituents from Premna latifolia Leaves.
Authors: Ghosh Partha Sarathi , Das Niranjan , Dinda Biswanath 
Published: November 2014

AbstractThe new flavone glycoside (I) is isolated along with two known compounds from the leaves of the medicinal plant, Premna latifolia Roxb (Verbenaceae).
ChemInform Abstract: β‐Secretase (BACE1)‐Inhibiting C‐Methylrotenoids from Abronia nana Suspension Cultures.
Authors: Park Se‐Hoon , Yang Eun‐Ju , Kim Sang‐In , Song Kyung‐Sik 
Published: November 2014

AbstractA novel C‐methylrotenoid, abronione A (I), is isolated together with three known rotenoids.
Quantum Mechanical Molecular Interactions for Calculating the Excitation Energy in Molecular Environments: A First‐Order Interacting Space Approach
Authors: Hasegawa Jun‐ya , Yanai Kazuma , Ishimura Kazuya 
Published: November 2014

AbstractIntermolecular interactions regulate the molecular properties in proteins and solutions such as solvatochromic systems. Some of the interactions have to be described at an electronic‐structure level. In this study, a commutator for calculating the excitation energy is used for deriving a first‐order interacting space (FOIS) to describe the environmental response to solute excitation. The FOIS wave function for a solute‐in‐solvent cluster is solved by second‐order perturbation theory. The contributions to the excitation energy are decomposed into each interaction and for each solvent.
Exploring the Free Energy and Conformational Landscape of tRNA at High Temperature and Pressure
Authors: Schuabb Caroline , Berghaus Melanie , Rosin Christopher , Winter Roland 
Published: November 2014

AbstractA combined temperature‐ and pressure‐dependent study was employed to reveal the conformational and free‐energy landscape of phenylalanine transfer RNA (tRNAPhe), a known model for RNA function, to elucidate the features that are essential in determining its stability. These studies also help explore its structural properties under extreme environmental conditions, such as low/high temperatures and high pressures. To this end, fluorescence and FTIR spectroscopies, calorimetric and small‐angle scattering measurements were carried out at different ion concentrations over a wide range of temperatures and pressures up to several hundred MPa. Compared with the pronounced temperature effect, the pressure‐dependent structural changes of tRNAPhe are small. A maximum of only 15 % unpaired bases is observed upon pressurization up to 1 GPa. RNA unfolding differs not only from protein unfolding, but also from DNA melting. Its pressure stability seems to be similar to that of noncanonical DNA structures.
Cobalt–Manganese‐Based Spinels as Multifunctional Materials that Unify Catalytic Water Oxidation and Oxygen Reduction Reactions
Authors: Menezes Prashanth W. , Indra Arindam , Sahraie Nastaran Ranjbar , Bergmann Arno , Strasser Peter , Driess Matthias 
Published: November 2014

AbstractRecently, there has been much interest in the design and development of affordable and highly efficient oxygen evolution reaction (OER) and oxygen reduction reaction (ORR) catalysts that can resolve the pivotal issues that concern solar fuels, fuel cells, and rechargeable metal‐air batteries. Here we present the synthesis and application of porous CoMn2O4 and MnCo2O4 spinel microspheres as highly efficient multifunctional catalysts that unify the electrochemical OER with oxidant‐driven and photocatalytic water oxidation as well as the ORR. The porous materials were prepared by the thermal degradation of the respective carbonate precursors at 400 °C. The as‐prepared spinels display excellent performances in electrochemical OER for the cubic MnCo2O4 phase in comparison to the tetragonal CoMn2O4 material in an alkaline medium. Moreover, the oxidant‐driven and photocatalytic water oxidations were performed and they exhibited a similar trend in activity to that of the electrochemical OER. Remarkably, the situation is reversed in ORR catalysis, that is, the oxygen reduction activity and stability of the tetragonal CoMn2O4 catalyst outperformed that of cubic MnCo2O4 and rivals that of benchmark Pt catalysts. The superior catalytic performance and the remarkable stability of the unifying materials are attributed to their unique porous and robust microspherical morphology and the intrinsic structural features of the spinels. Moreover, the facile access to these high‐performance materials enables a reliable and cost‐effective production on a large scale for industrial applications.
Molecular Mechanisms of [Bi6O4(OH)4](NO3)6 Precursor Activation, Agglomeration, and Ripening towards Bismuth Oxide Nuclei
Authors: Walther Markus , Zahn Dirk 
Published: November 2014

AbstractMolecular dynamics simulations have been employed to characterize the role of [Bi6O4(OH)4](NO3)6 cage structures in DMSO solution as precursors to larger bismuth oxide aggregates. We find that the nitrate ions play a twofold role: (i) the association of [Bi6O4(OH)4](NO3)6 clusters – which are fully coordinated by six nitrate ligands – is electrostatically disfavored giving rise to stable [Bi6O4(OH)4](NO3)6 solutions; (ii) in contrast, the dissociation of a single nitrate ligand results in attractive cluster–cluster interactions. This results in the formation of oligomers, which are initially bridged by one to three nitrate ions, but then form Bi–O contacts by sharing common edges and faces and eventually ripen into nuclei of bismuth oxide. Strikingly, this process may be induced by a single activated species, the [Bi6O4(OH)4](NO3)5+ cluster, which may bind several [Bi6O4(OH)4](NO3)6 clusters.
Nanocomposites Based on Polystyrene Sulfonate as Sensing Platforms. Comprehensive Electrochemical Study of Carbon Nanopowders and Carbon‐Nanofibers Composite Membranes
Authors: Cantalapiedra Alberto , Gismera Ma Jesús , Procopio Jesús R. , Sevilla Ma Teresa 
Published: November 2014

AbstractNanocomposite membranes, prepared from carbon nano‐powders (CnP) or carbon nano‐fibers (CnF) dispersions in polystyrene sulfonate (PSS), were evaluated as sensing platforms. Composite surfaces were analyzed by scanning electron microscopy and field‐emission electron microscopy. Electrical and electrochemical properties of composite membranes were evaluated. Percolation threshold was reached at percentages higher than 5 % CnP or 0.5 % CnF. Best electrochemical responses were obtained on electrodes modified with composites containing 10 % CnP and 1 % CnF. Using a PSS‐10 % CnP composite modified electrode, a limit of detection of 0.3 µg L−1 (1 nM) was obtained in lead determination by differential pulse anodic stripping voltammetry.
Construction and Performance Characterization of Ion‐Selective Electrodes for Potentiometric Determination of Paroxetine Hydrochloride in Pharmaceutical Preparations and Biological Fluids
Authors: Khalil Mohamed M. , Issa Yousry M. , Mohamed Ali G. 
Published: November 2014

AbstractThree types of ion‐selective electrodes: PVC membrane, modified carbon paste (CPE), and coated graphite electrodes (CGE) have been constructed for determining paroxetine hydrochloride (Prx). The electrodes are based on the ion pair of paroxetine with sodium tetraphenylborate (NaTPB) using dibutyl phthalate as plasticizing solvent. Fast, stable and potentiometric response was obtained over the concentration range of 1.1×10−5–1×10−2 mol L−1 with low detection limit of 6.9×10−6 mol L−1 and slope of a 56.7±0.3mV decade−1 for PVC membrane electrode, the concentration range of 2×10−5–1×10−2 mol L−1 with low detection limit of 1.2×10−5 mol L−1 and slope of a 57.7±0.6 mV decade−1 for CPE, and the concentration range of 2×10−5–1×10−2 mol L−1 with low detection limit of 8.9×10−6 mol L−1 and slope of a 56.1±0.1 mV decade−1 for CGE. The proposed electrodes display good selectivity for paroxetine with respect to a number of common inorganic and organic species. The electrodes were successfully applied to the potentiometric determination of paroxetine hydrochloride in its pure state, its pharmaceutical preparation, human urine and plasma.
Effects of overnight fasting on working memory‐related brain network: An fMRI study
Authors: Chechko Natalia , Vocke Sebastian , Habel Ute , Toygar Timur , Kuckartz Lisa , Berthold‐Losleben Mark , Laoutidis Zacharias G. , Orfanos Stelios , Wassenberg Annette , Karges Wölfram , Schneider Frank , Kohn Nils 
Published: November 2014

AbstractGlucose metabolism serves as the central source of energy for the human brain. Little is known about the effects of blood glucose level (BGL) on higher‐order cognitive functions within a physiological range (e.g., after overnight fasting). In this randomized, placebo‐controlled, double blind study, we assessed the impact of overnight fasting (14h) on brain activation during a working memory task. We sought to mimic BGLs that occur naturally in healthy humans after overnight fasting. After standardized periods of food restriction, 40 (20 male) healthy participants were randomly assigned to receive either glucagon to balance the BGL or placebo (NaCl). A parametric fMRI paradigm, including 2‐back and 0‐back tasks, was used. Subclinically low BGL following overnight fasting was found to be linked to reduced involvement of the bilateral dorsal midline thalamus and the bilateral basal ganglia, suggesting high sensitivity of those regions to minimal changes in BGLs. Our results indicate that overnight fasting leads to physiologically low levels of glucose, impacting brain activation during working memory tasks even when there are no differences in cognitive performance.Hum Brain Mapp 36:839–851, 2015.© 2014 Wiley Periodicals, Inc.
Diagnosis of vocal fold paresis: Current opinion and practice
Authors: Wu Amy P. , Sulica Lucian 
Published: November 2014

Objectives/HypothesisNo accepted standard exists for the diagnosis of vocal fold paresis (VFP). Laryngeal specialists are surveyed to establish expert opinion on diagnostic methodology and criteria.Study Design: Cross‐sectional survey.MethodsQuestionnaires were distributed at laryngology conferences in fall 2013. Responses were collated anonymously and subjected to cross‐tabulated data analysis.ResultsFifty‐eight responses completed by posttraining physicians whose practice focused in laryngology ≥ 75% were analyzed. One (1.7%) relied principally on laryngeal electromyography, one (1.7%) on history, 10 (17%) on laryngoscopy, and 42 (72%) on strobovideolaryngoscopy for diagnosis. Only 12 (21%) performed laryngeal electromyography on > 50% of vocal fold paresis patients. Laryngeal electromyography sensitivity was considered moderate (61 ± 3.7%, σ = 28). Laryngoscopic/stroboscopic findings considered to have the strongest positive predictive value for VFP were slow/sluggish vocal fold motion (75 ± 3.0%, σ = 23), decreased adduction (67 ± 3.5%, σ = 27), decreased abduction (65 ± 3.4%, σ = 26), and decreased vocal fold tone (61 ± 3.5%, σ = 26). Asymmetric mucosal wave amplitude (52 ± 4.2%, σ = 32), asymmetric mucosal wave phase (60 ± 4.1%, σ = 31), hemilaryngeal atrophy (60 ± 4.0%, σ = 31), and asymmetric mucosal wave frequency (49 ± 4.0%, σ = 30) generated greatest disagreement.ConclusionsSurveyed expert laryngologists diagnose vocal fold paresis predominantly on stroboscopic examination. Gross motion abnormalities had the highest positive predictive value. Laryngeal electromyography was infrequently used to assess for vocal fold paresis.Level of Evidence5 Laryngoscope, 125:904–908, 2015
Non‐invasive fat reduction of the flanks using a new cryolipolysis applicator and overlapping, two‐cycle treatments
Authors: Bernstein Eric F. , Bloom Jason D. , Basilavecchio Lisa D. , Plugis Jessica M. 
Published: November 2014

Background and ObjectivesA sharply contoured cryolipolysis vacuum applicator was developed to improve fit and tissue draw in the abdomen and flanks to better accommodate a range of body types and a variety of treatment sites. This study was carried out to evaluate the safety and efficacy of the new applicator for treatment of flank fat (“love handles”).Study Design/Materials and MethodsA cryolipolysis vacuum applicator with a sharply contoured cup and curved cooling plates was used to treat 20 flanks. Two treatment cycles were delivered sequentially to each flank (60‐minute cycle at a Cooling Intensity Factor of 41.6). Efficacy was evaluated 12 weeks post‐treatment by physicians performing blinded, independent review of clinical photographs. Safety was assessed by the treating physician monitoring subjects for side effects and adverse events.ResultsFour blinded, independent physician reviewers properly identified the pre‐ and post‐treatment photographs 94.4% of the time. Improvement was scored from 0 (none) to 10 (complete) and showed an average 4.3 point (43%) improvement. Side‐effects were limited to erythema, edema, bruising, and numbness or tingling at the treatment site, and resolved without treatment.ConclusionsMultiple treatment cycles from a new improved‐fit cryolipolysis applicator are safe and effective for reduction of flank fat bulges. A high degree of improvement was reported by blinded, physician evaluation of standardized photographs. Laser Surg. Med. 46:731–735, 2014. © 2014 The Authors. Lasers in Surgery and Medicine published by Wiley Periodicals, Inc.
Thermoresponsive Self‐Assembly of Nanostructures from a Collagen‐Like Peptide‐Containing Diblock Copolymer
Authors: Luo Tianzhi , He Lirong , Theato Patrick , Kiick Kristi L. 
Published: November 2014

AbstractTemperature‐triggered formation of nanostructures with distinct biological activity offers opportunities in selective modification of matrices and in drug delivery. Toward these ends, diblock polymers comprising poly(diethylene glycol methyl ether methacrylate) (PDEGMEMA) conjugated to a triple helix‐forming collagen‐like peptide were produced. Triggered by the collapse of the thermoresponsive domain above its LCST, the conjugate undergoes a reversible transition in aqueous solution to form well‐defined nanovesicles with diameters of approximately 100 nm, with a transition temperature of 37 °C. The incorporation of CLP domains in these nanostructures may offer opportunities for the selective targeting of collagen‐containing matrices.
Modeling of Polyamide 66 Solid State Polymerization: Drawing a Chemical Reaction Scheme
Authors: Filgueiras Viviane , Vouyiouka Stamatina N. , Konstantakopoulou Maria O. , Boussia Anastasia C. , Papaspyrides Constantine D. , Lima Enrique Luis , Pinto José Carlos 
Published: November 2014

AbstractA chemical reaction scheme is proposed here to describe the polyamide 66 (PA 66) solid state polymerization (SSP) with effective kinetic parameters. The main objective of the suggested model is to predict the maximum molecular weight attainable at each SSP isotherm, which is in turn determined by the occurrence of polymer chain degradation coupled to other important side reactions. Accordingly, a number of side reactions have been firstly considered, based on which a comprehensive particle model was constructed to predict PA 66 kinetics, equilibrium, and transport phenomena. The SSP model parameters were estimated with a maximum‐likelihood estimator, using data measured under kinetic‐ and diffusion‐controlled process conditions for reaction temperatures in the range of 160–200 °C and reaction times up to 8 h. Calibration models were also developed to allow the determination of PA 66 solution viscosities.
Efficient nanostructured ‘black’ silicon solar cell by copper‐catalyzed metal‐assisted etching
Authors: Toor Fatima , Oh Jihun , Branz Howard M. 
Published: November 2014

AbstractWe produce low‐reflectivity nanostructured ‘black’ silicon (bSi) using copper (Cu) nanoparticles as the catalyst for metal‐assisted etching and demonstrate a 17.0%‐efficient Cu‐etched bSi solar cell without any vacuum‐deposited anti‐reflection coating. The concentration ratio of HF to H2O2 in the etch solution provides control of the nanostructure morphology. The solar‐spectrum‐weighted average reflection (Rave) for bSi is as low as 3.1% on Cu‐etched planar samples; we achieve lower reflectivity by nanostructuring of micron‐scale pyramids. Successful Cu‐based anti‐reflection etching requires a concentration ratio [HF]/[H2O2] ≥ 3. Our 17.0%‐efficient Cu‐etched bSi photovoltaic cell with a pyramid‐texture has a Rave of 3% and an open circuit voltage (Voc) of 616 mV that might be further improved by reducing near‐surface phosphorus (P) densities. Copyright © 2014 John Wiley & Sons, Ltd.
Synthesis, Superstructure, and Vacancy‐Ordering in 2H‐CuxTa1+ySe2 (x, y = 0.52, 0 and 0.16, 0.08)
Authors: Ali Sk Imran , Mondal Swastik , van Smaalen Sander 
Published: November 2014

AbstractSingle crystals of CuxTa1+ySe2 were grown by chemical vapor transport. Single crystals of different compositions were obtained at slightly different reaction conditions from mixtures of the reactants of the same nominal composition. It is suggested that different diameters of the ampoules imply different contributions of convection and diffusion to the mass transport, and thus are responsible for different ratios of the amount of Cu, Ta, and Se transported. 2H‐Cu0.52TaSe2 (x = 0.52, y = 0) is formed in the narrower ampoule (diameter 15 mm). The crystal structure is based on the MoS2 type of stacking of TaSe2 layers. Partial ordering of Cu over the tetrahedral sites is responsible for a 2a0 × 2b0 × c0 superstructure with hexagonal P$\bar{6}$m2 symmetry [a0 = 3.468 (1) Å, c0 = 13.568 (3) Å]. 2H‐Cu0.16Ta1.08Se2 (x = 0.16, y = 0.08) is formed in the wider ampoule (diameter 18 mm). It possesses a NbS2‐type of stacking. A superstructure is not formed, but the presence of Cu and intercalated Ta in alternating van der Waals gaps is responsible for the reduction of symmetry from P63/mmc to P$\bar{6}$m1 [a0 = 3.439 (2) Å, c0 = 12.870 (2) Å]. Single crystals are formed towards the hotter side of the ampoules up to a temperature of 1168 K in both reactions.
The impact of work injury and permanent impairment on the probability of poverty
Authors: Tompa Emile 
Published: November 2014

Objectives: We investigate the prevalence of poverty across different workers compensation programs using large representative samples of workers’ compensation claimants who have sustained a permanent impairment from a work injury. The programs, which have existed in the provinces of Ontario and British Columbia, Canada over the last 25 years, are the Permanent Disability (PD) program, the Future Economic Loss (FEL) program, the Loss of Earnings (LOE) program, and the Bifurcated Benefits (BB) program. The nature of benefit determination and the return to work supports provided by the four programs are very different. The focus of the study is on evidence of programmatic impact on the probability of poverty in the nine years post injury.Methods: The study included claimants sampled from each of the four programs who sustained a permanent impairment from a work injury. Claimants were identified in a Revenue Canada tax database know as the Longitudinal Administrative Databank (LAD), which is a longitudinal 20% simple random sample of all Canadian tax filers. Each claimant was matched with similar uninjured controls that were also in the LAD, based on sex, age, labour-market earnings amounts and trajectories in the four years prior to injury, family income, marital status, number of children, and a propensity score. Descriptive analysis was undertaken to compare near poverty, poverty and deep poverty levels of claimants relative to their match controls using data on family and individual earnings over a ten-year period post injury. Statistical modeling was used to determine the probability of poverty and near poverty for claimants versus controls. A key issue of interest was to determine was whether the probability of poverty differed between programs.Results: Based on after-tax adjusted family income, the level of poverty was quite low, less than 2% in every program over a ten-year period. The level of poverty was also lower for claimants than their matched controls, but only nominally so. The BB program had the lowest proportion of poverty followed by the PD program, the FEL program and then the LOE program. In the statistical modelling analysis male claimants did not have a higher probability of poverty compared to controls, though female claimants did. Both male and female claimants had a higher probability of near poverty.Conclusions: Poverty levels are very low for workers’ compensation claimants who sustain permanent impairments from a work injury across different programs and time periods in Ontario and British Columbia. Overall the Bifurcated Benefits program from British Columbia had the lowest proportion of claimants in poverty in absolute terms and relative to non-injured workers. Increased levels of poverty due to work injury and permanent impairment are particularly a concern for female claimants, though both female and male claimants have a higher chance of near poverty compared to non-injured workers.
Individual dispositions that impact readiness, preparedness and confidence in returning to work / Return to work journey: an injured worker perspective
Authors: Odgers Peta 
Published: November 2014

Background: It is widely recognised that the type of injury sustained plays a role in an individual's ability to return to work (RTW). Employers are quick to point out, though, that the injury alone does not always impact an injured/unwell worker's RTW outcome.Objectives: The objectives of this research were to provide Comcare with greater insights and a better understanding of the factors that influence RTW outcomes for workers in the Australian federal workers’ compensation scheme.Methods: A total of 47 in-depth interviews were conducted with injured workers from both premium paying and self-insured organisations in four Australian States and Territories. An independent research company conducted the interviews on behalf of Comcare between December 2012 and February 2013. A purposeful sampling approach was employed, however, this was influenced by the willingness of people to participate.Findings: Personal situation, expectations of the organisation, relationship with the organisation and personality traits were identified as key factors influencing an individual's ability to return to work. The two driving characteristics of ‘personal resilience’ and ‘trust in the employer’ were used to identify four key types of claimants – Strivers, Temporarily Floored, Defensive & Entitled, and Victims.Discussion: Although individuals were found to have a clear disposition towards one typology over another, it was apparent that they could move between these typologies depending on how their RTW journey was going. For example, a ‘Temporarily Floored’ individual encountering perceived ‘unfair or harsh’ judgement from their employer could develop a ‘Victim’ mindset.Conclusion: Understanding that core individual dispositions impact a person's readiness, preparedness and confidence to RTW, has provided Comcare with the framework to further explore how we can identify and use these personal characteristics at the beginning of a claim to improve the recovery and RTW outcomes of our claimants.