bluuebunny/crossref_metadata_2025_split huggingface dataset:
Kinetics and mechanism of the interaction of adenosine withcis‐diaqua(cis‐1,2‐diaminocyclohexane)platinum(II) perchlorate in aqueous medium
Authors: Karmakar Parnajyoti , Mallick Subhasis , Mondal Subala , Bera Biplab K. , Mandal Arup , Mukhopadhyay Sudip K. , Ghosh Alak K. 
Published: March 2011

AbstractThe kinetics of the interaction of adenosine withcis‐[Pt(cis‐dach)(OH2)2]2+(dach = diaminocyclohexane) was studied spectrophotometrically as a function of [cis‐[Pt(cis‐dach)(OH2)2]2+], [adenosine], and temperature at a particular pH (4.0), where the substrate complex exists predominantly as the diaqua species and the ligand adenosine exists as a neutral molecule. The substitution reaction shows two consecutive steps: the first is the ligand‐assisted anation followed by a chelation step. The activation parameters for both the steps have been evaluated using Eyring equation. The low negative value of ΔH≠1(43.1 ± 1.3 kJ mol−1) and the large negative value of ΔS≠1(−177 ± 4 J K−1mol−1) along with ΔH≠2(47.9 ± 1.8 kJ mol−1) and ΔS≠2(−181 ± 6 J K−1mol−1) indicate an associative mode of activation for both the aqua ligand substitution processes. The kinetic study was substantiated by infrared and electrospray ionization mass spectroscopic analysis. © 2011 Wiley Peiodicals, Inc. Int J Chem Kinet 43: 219–229, 2011
Cardiomyopathy of duchenne muscular dystrophy: Current understanding and future directions
Authors: Spurney Christopher F. 
Published: March 2011

AbstractDuchenne muscular dystrophy (DMD) is the most common and severe form of muscular dystrophy and occurs in 1 in 3500 male births. Improved survival due to improvements in clinical care of the musculoskeletal and respiratory systems has led to an increased incidence of cardiomyopathy. Cardiac‐related deaths are now seen in approximately 20% of DMD patients. Our current understanding of DMD cardiomyopathy has increased significantly over the past 10 years, but further research is required to improve cardiac treatment and outcomes in DMD. This review provides a summary of the current literature and discussion of potential new therapies for DMD cardiomyopathy. Muscle Nerve 44: 8–19, 2011
Regional body composition and functional impairment in patients with myotonic dystrophy
Authors: Pruna Lelia , Chatelin Jerome , Pascal‐Vigneron Veronique , Kaminsky Pierre 
Published: March 2011

AbstractIntroduction: In this study we determined regional body composition in myotonic dystrophy (DM1) and able‐bodied controls and evaluated the relationship between fat and lean tissue mass and functional impairment in DM1 patients. Methods: Dual‐energy X‐ray absorptiometry (DEXA) was used to obtain regional measurements of fat‐free mass index (FFMI) and fat mass index (FMI) in 48 DM1 and anthropometrically matched control pairs. Results: DM1 patients had lower regional FFMI and higher FMI than controls (P < 0.01–0.001). In DM1 patients, total FMI increased significantly with increased muscular disability rating, decreased motor function measurement, and with both decreasing vital capacity and total lung capacity. Hypertriglyceridemia correlated with increasing FMI. Conclusions: Regional FFMI is decreased in DM1, whereas FMI is underestimated by body mass index and is negatively correlated with patients' functional capacity. DEXA may provide valuable supporting evidence in the management of DM1. Muscle Nerve, 2011
Polynomial preserving recovery for quadratic elements on anisotropic meshes
Authors: Huang Can , Zhang Zhimin 
Published: March 2011

AbstractPolynomial preserving gradient recovery technique under anisotropic meshes is further studied for quadratic elements. The analysis is performed for highly anisotropic meshes where the aspect ratios of element sides are unbounded. When the mesh is adapted to the solution that has significant changes in one direction but very little, if any, in another direction, the recovered gradient can be superconvergent. The results further explain why recovery type error estimator is robust even under nonstandard and highly distorted meshes. © 2011 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq, 2011
Composites of chitosan with acid‐soluble collagen from jumbo squid (Dosidicus gigas) by‐products
Authors: Arias‐Moscoso Joe L , Soto‐Valdez Herlinda , Plascencia‐Jatomea Maribel , Vidal‐Quintanar Reyna‐Luz , Rouzaud‐Sández Ofelia , Ezquerra‐Brauer Josafat M 
Published: March 2011

AbstractBiodegradable films of chitosan with acid‐soluble collagen (ASC) isolated from jumbo squid by‐products were prepared using solution‐mixing and film‐casting techniques. The main goal of the study reported was to evaluate the potential application of ASC as an additive in the preparation of biofilms in composites with commercial chitosan (85% deacetylated, viscosity > 400 MPa s and molecular weight of 570.3 kDa). Thermal properties, scanning electron microscopy (SEM) images, mechanical properties, water vapor barrier properties and water solubility of the films obtained were assessed. SEM images revealed that the surface morphology of chitosan films was influenced by the ASC. The ASC led to a structure with a less compact morphology than chitosan films. The incorporation of ASC to chitosan induced an increase in the percentage of elongation at break and a decrease of the elastic modulus of films. However, the addition of ASC to chitosan films had a negative effect on the water barrier properties and increased the solubility. The glass transition temperature of chitosan films was found to be ca 159 °C and shifted to ca 148 °C for ASC/chitosan films containing 50% ASC. ASC from jumbo squid by‐products might be useful as a new source of additive in the preparation of biofilms in composites with chitosan. Copyright © 2011 Society of Chemical Industry
Porous silicone hydrogel interpenetrating polymer networks prepared using a template method for biomedical use
Authors: Tang Qi , Yu Jun‐Rong , Chen Lei , Zhu Jing , Hu Zu‐Ming 
Published: March 2011

AbstractPorous interpenetrating polymer networks (IPNs) of polydimethylsiloxane with hydrophilic components synthesized by radical homopolymerization and copolymerization of 2‐hydroxyethyl methacrylate (HEMA) and N,N‐dimethylacrylamide (DMAA) were obtained using a template method. Surface modification of CaCO3 microsphere templates improved their dispersibility, leading to the realization of IPN films with an interconnected porous structure. Results showed that these porous IPN films exhibited higher swelling abilities, and thus better drug loading capabilities than the corresponding non‐porous films. In addition, IPNs comprised of DMAA exhibited higher swelling abilities and faster drug release rates than those of only HEMA. These silicone hydrogels were also tested for their cytotoxicity against L929 cells, confirming their non‐toxicity to cells and their potential use as materials for biomedical applications. Copyright © 2011 Society of Chemical Industry
Screening systems and decision making at the preschool level: Application of a comprehensive validity framework
Authors: Kettler Ryan J. , Feeney‐Kettler Kelly A. 
Published: March 2011

AbstractUniversal screening is designed to be an efficient method for identifying preschool students with mental health problems, but prior to use, screening systems must be evaluated to determine their appropriateness within a specific setting. In this article, an evidence‐based validity framework is applied to four screening systems for identifying preschool students with mental health problems. The framework is influenced by the most recent standards for educational and psychological testing, research on test accessibility, and considerations for evaluating screening systems. Suggestions are provided for evaluating the accessibility (Step 1), reliability (Step 2), construct validity (Step 3), and consequential validity (Step 4) of an instrument. Other factors for consideration (i.e., developmental stage, incremental validity, and generalizability) are also identified. Special attention is given to conditional probability indices, which are highly relevant to evaluation of screening systems, given the dichotomous nature of decision making in preschool mental health. The authors suggest that this framework be used, along with specification of the construct of interest and characteristics of the environment, to identify the appropriate method to be used for each preschool screening decision. © 2011 Wiley Periodicals, Inc.
Collaboration in the assessment and diagnosis of preschoolers: Challenges and opportunities
Authors: Finello Karen Moran 
Published: March 2011

AbstractThe preschool assessment and diagnostic process offers many opportunities for collaboration across disciplines that can enrich the professional's understanding of the young child. This article addresses the advantages and complexities of such collaboration including opportunities for infusing collaboration across the multiple steps of assessment. Challenges commonly seen in a collaborative process, involving issues of time, decisions regarding diagnosis and recommended interventions, shared responsibilities, conflict across disciplines, and the need for administrative support, are explored. Special issues around creating meaningful partnerships with families are examined with attention to fully including families at whatever level they are comfortable. Finally, trends in consultation and collaboration that require the specialized expertise of preschool psychologists are described, along with promising models of training that incorporate collaboration, consultation, and policy work into the pre‐service experience. © 2011 Wiley Periodicals, Inc.
Toward prediction of functional protein pockets using blind docking and pocket search algorithms
Authors: Hetényi Csaba , Spoel David van der 
Published: March 2011

AbstractLocation of functional binding pockets of bioactive ligands on protein molecules is essential in structural genomics and drug design projects. If the experimental determination of ligand‐protein complex structures is complicated, blind docking (BD) and pocket search (PS) calculations can help in the prediction of atomic resolution binding mode and the location of the pocket of a ligand on the entire protein surface. Whereas the number of successful predictions by these methods is increasing even for the complicated cases of exosites or allosteric binding sites, their reliability has not been fully established. For a critical assessment of reliability, we use a set of ligand‐protein complexes, which were found to be problematic in previous studies. The robustness of BD and PS methods is addressed in terms of success of the selection of truly functional pockets from among the many putative ones identified on the surfaces of ligand‐bound and ligand‐free (holo and apo) protein forms. Issues related to BD such as effect of hydration, existence of multiple pockets, and competition of subsidiary ligands are considered. Practical cases of PS are discussed, categorized and strategies are recommended for handling the different situations. PS can be used in conjunction with BD, as we find that a consensus approach combining the techniques improves predictive power.
Wettability of soybean (Glycine max L.) leaves by foliar sprays with respect to developmental changes
Authors: Puente Diana W Moran , Baur Peter 
Published: March 2011

AbstractBACKGROUND: Leaf wettability considerably defines the degree of retention of water and agrochemical sprays on crop and non‐target plant surfaces. Plant surface structure varies with development therefore the goal was to characterise the wettability of soybean leaf surfaces as a function of growth stage (GS).RESULTS: Adaxial surfaces of leaves developed at GS 16 (BBCH) were 10 times more wettable with water than leaves at the lower canopy (GS 13). By measuring contact angles of a liquid having an intermediate surface tension on different leaf patches, an illustrative wetting profile was elucidated, showing to what degree wetting varies (from > 120° to < 20°) depending on leaf patch and GS. While the critical surface tension of leaf surfaces at different GSs did not correlate with the observed changes, the slope of the Zisman plot accurately represented the increase in wettability of leaves at the upper canopy and lateral shoots (GSs 17 to 19, 21 and 24). The discrimination given by the slopes was even better than that by water contact angles. SEM observations revealed that the low wettability observed at early GSs is mainly due to a dense layer of epicuticular wax crystals. The Zisman plot slope does not represent the changes in leaf roughness (i.e. epicuticular wax deposition), but provides an insight into chemical and compositional surface characteristics at the droplet–leaf interface.CONCLUSIONS: The results with different wettability measurement methods demonstrated that wetting is a feature that characterises each developmental stage of soybean leaves. Positional wettability differences among leaves at the same plant and within the same leaf are relevant for performance, selectivity and plant compatibility of agrochemicals. Implications are discussed. Copyright © 2011 Society of Chemical Industry
Aminopyralid soil residues affect rotational vegetable crops in Florida
Authors: Fast Brandon J , Ferrell Jason A , MacDonald Gregory E , Sellers Brent A , MacRae Andrew W , Krutz L Jason , Kline William N 
Published: March 2011

AbstractBACKGROUND: Bahiagrass (Paspalum notatum Flueggé) is a poor host of several soilborne pests of vegetable crops; therefore vegetable crops are commonly grown in a rotation with bahiagrass pastures in Florida. The herbicide aminopyralid provides foliar and soil residual weed control and increases forage production in bahiagrass pastures; however, the soil residual activity of aminopyralid makes carryover injury likely in subsequent sensitive vegetable crops. Field research was conducted to determine the sensitivity of five vegetable crops to soil residues of aminopyralid.RESULTS: At an aminopyralid soil concentration of 0.2 µg kg−1 (the limit of quantitation for aminopyralid in this research), crop injury ratings were 48% (bell pepper), 67% (eggplant), 71% (tomato), 3% (muskmelon) and 3% (watermelon), and fruit yield losses (relative to the untreated control) at that concentration were 61, 64, 95, 8 and 14% in those respective crops.CONCLUSIONS: The crops included in this research were negatively affected by aminopyralid at soil concentrations less than the limit of quantitation (0.2 µg kg−1). Therefore, it was concluded that a field bioassay must be used to determine whether carryover injury will occur when these crops are planted on a site where aminopyralid has been previously applied. Copyright © 2011 Society of Chemical Industry
Statistico‐dynamical downscaling for Mediterranean heavy precipitation
Authors: Beaulant A‐L. , Joly B. , Nuissier O. , Somot S. , Ducrocq V. , Joly A. , Sevault F. , Deque M. , Ricard D. 
Published: March 2011

AbstractMediterranean regions are regularly affected by high‐precipitating events (HPEs) that often lead to devastating flash floods. The evolution of the occurrence and severity of such extreme events in the frame of climate change remains an open question. To address this issue, we have designed a statistico‐dynamical downscaling method to apply to climate‐model outputs. This statistico‐dynamical downscaling is based on a two‐step method: first, representative situations are selected among an ensemble of propitious synoptic environments to HPEs for the present (1961–2000) and future (2070–2099) climates and second, for these situations simulations are carried out with a fine‐scale non‐hydrostatic model. Large‐scale circulation patterns (LSCs) propitious to high‐impact weather events have been identified by a statistical method. This has been applied to the coupled atmosphere–ocean regional climate model ARPEGE Climate/OPAMED simulation considering an enhanced greenhouse climate following the IPCC‐SRES‐A2 scenario. Then dynamical downscaling is performed by simulating the 21 selected cases with the French MESO‐NH numerical model at 2.5 km horizontal resolution. Initial and boundary conditions are provided by the climate‐model scenarios. The high‐resolution simulations for the 21 cases give accumulated rainfall exceeding 100 mm, often 300 mm and even 500 mm. Results highlight that the statistico‐downscaling method is able to select LSCs leading to HPEs and to reproduce precipitating systems typical of Mediterranean events. This study also shows that it is possible to infer some conclusions about the evolution of the geographical location, occurrence and intensity of these intense events. The number of days with LSCs propitious to heavy precipitation significantly increases in the future climate. In particular, the simulated rainfall for the selected 21 cases shows an increase in the spatial variability of such events in the future climate associated with a slight increase of rainfall maxima. Copyright © 2011 Royal Meteorological Society
Spectroscopic properties of mono‐ and bis‐azopyrroles
Authors: Jacquemin Denis 
Published: March 2011

AbstractWe use density functional theory and time‐dependent density functional theory to evaluate the structure and electronic properties of a series of recently‐synthesized mono‐ and bi‐azopyrrole dyes. The selected ab initio approach relies on hybrid functionals, large basis sets and systematic modeling of solvent effects. For simulating the absorption spectra, three functionals are benchmarked (PBE0, BMK, and CAM‐B3LYP), and it turns out that these three hybrids are able to provide accurate theoretical estimates (average deviations ∼ 0.1 eV) of the longest wavelength of maximal absorption. New structures are proposed to minimize the transition energy and the impact of the relative position of donor and acceptor groups is discussed. The linear and nonlinear optical properties of the proposed dyes are investigated with a long‐range corrected approach. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012
Behavior of the Hartree‐Fock energy at short internuclear distances
Authors: Gilka Natalie , Solovej Jan Philip , Taylor Peter R. 
Published: March 2011

AbstractThere are well‐established mathematical relationships for the energy of a diatomic molecule (the exact energy, but also both the Hartree‐Fock and Thomas‐Fermi energies) in the limit of large nuclear charge of the atoms and small internuclear distances. We present calculated energies for a number of homonuclear diatomic molecules at short internuclear distances for numerical comparison with these established relationships. Intriguingly, they hold in practice for relatively small nuclear charges and for relatively long internuclear distances. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem 111:3324–3328, 2011
Conformational and thermodynamic analysis of the COXIB scaffold using quantum chemical calculations
Authors: Owen Michael C. , Szó´ri Milán , Jojárt Balázs , Viskolcz Bela , Csizmadia Imre G. 
Published: March 2011

AbstractSelective cyclo‐oxygenase‐2 inhibitors (COXIBs) are prominent members of the nonsteroidal anti‐inflammatory drugs. The neutral and protonated COXIB scaffold has been subjected to molecular computations in the gas phase and implicit solvent to measure the relative changes in the thermodynamic functions, enthalpy (Hrel), potential energy (Urel), Gibbs free energy (Grel) and entropy (Srel) induced by selected substituents. Conformational analysis of the COXIB scaffold indentified four pairs of atropisomeric conformers (from I, I′ to IV, IV′) associated with a molecular structure containing a double rotor system. All conformers had similar stability. Para‐substitution with substituents that cover a wide range of Hammett sigma values did not alter the geometries of the neutral COXIB conformers; however, the protonated COXIB scaffold was showed an increase in structural and thermodynamic perturbations due to inductive effects. Flexibility and structural resilience of the COXIB scaffold under the conditions studied herein could be an important feature of the COXIBs, especially considering the previously proposed flexibility of the cyclo‐oxygenase binding site. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Outcomes of pancreatoduodenectomy with robotic surgery versus open surgery
Authors: Zhou Ning‐xin , Chen Jun‐zhou , Liu Quanda , Zhang Xiaodong , Wang Zhifei , Ren Shiyan , Chen Xiong‐fei 
Published: March 2011

AbstractBackgroundPancreatoduodenectomy (PD) for pancreatic cancer is very challenging to many surgeons. Information regarding the advantage of using the Da Vinci robotic system over conventional open surgery for PD is rare. Therefore, a comparison of the outcomes of PD performed using the Da Vinci robotic system with outcomes using open surgery was conducted.MethodsBetween January 2009 and December 2009 sixteen patients underwent PD, eight patients receiving robot‐assisted surgery using the Da Vinci surgical robotic system (Group I) and eight being treated using conventional open surgery (Group II).ResultsThere was no significant difference in radical resection (R0) rate between the two groups, 87.5% vs 100%, P = 0.05. The operative time in group I was longer than in group II, 718 ± 186 vs 420 ± 127 min, P = 0.011, while the surgical blood loss in group I was less than in group II, 153 ± 43 vs 210 ± 53 mL, P = 0.045. The length of bed time and hospital stay after surgery in group I were shorter than in group II, 27.5 ± 7.1 vs 96 ± 18.1 h, P = 0.000; 16.4 ± 4.1 vs 24.3 ± 7.1 days, P = 0.04, respectively). Complication rate of group I was lower than that of group II, 25% vs 75%, P = 0.05.ConclusionIt is feasible and safe to perform PD using the Da Vinci robot‐assisted surgical system; patients recovered faster postoperatively with less blood loss during surgery. Copyright © 2011 John Wiley & Sons, Ltd.
Autonomous navigation for mobile service robots in urban pedestrian environments
Authors: Trulls E. , Corominas Murtra A. , Pérez‐Ibarz J. , Ferrer G. , Vasquez D. , Mirats‐Tur Josep M. , Sanfeliu A. 
Published: March 2011

AbstractThis paper presents a fully autonomous navigation solution for urban, pedestrian environments. The task at hand, undertaken within the context of the European project URUS, was to enable two urban service robots, based on Segway RMP200 platforms and using planar lasers as primary sensors, to navigate around a known, large (10,000 m2), pedestrian‐only environment with poor global positioning system coverage. Special consideration is given to the nature of our robots, highly mobile but two‐wheeled, self‐balancing, and inherently unstable. Our approach allows us to tackle locations with large variations in height, featuring ramps and staircases, thanks to a three‐dimensional, map‐based particle filter for localization and to surface traversability inference for low‐level navigation. This solution was tested in two different urban settings, the experimental zone devised for the project, a university campus, and a very crowded public avenue, both located in the city of Barcelona, Spain. Our results total more than 6 km of autonomous navigation, with a success rate on go‐to requests of nearly 99%. The paper presents our system, examines its overall performance, and discusses the lessons learned throughout development. © 2011 Wiley Periodicals, Inc.
Dielectric breakdown properties of polylactic acid with β‐crystalline chitin
Authors: Oi Toru , Shinyama Katsuyoshi , Fujita Shigetaka 
Published: March 2011

Abstractβ‐Crystalline chitin was added to polylactic acid (PLA), and this PLA was then heat treated at 100 °C for 1 min. The crystallinity of the heat‐treated PLA increased to more than 40%, and its crystallization speed also increased significantly. Furthermore, the temperature dependence of the dielectric breakdown strength (EB) was checked, and it was found that at a temperature of 80 °C, the EB value of the PLA with chitin was around 1.8 times greater than that of the PLA without chitin. © 2011 Institute of Electrical Engineers of Japan. Published by John Wiley & Sons, Inc.