bluuebunny/crossref_metadata_2025 huggingface dataset:
Prediction of the n‐hexane/water and 1‐octanol/water partition coefficients for environmentally relevant compounds using molecular simulation
Authors: Garrido Nuno M. , Economou Ioannis G. , Queimada António J. , Jorge Miguel , Macedo Eugénia A.
Published: June 2011

In recent years molecular simulation has emerged as a useful tool to predict physical properties of complex chemical systems. A methodology to estimate the n‐hexane/water and 1‐octanol/water partition coefficients of environmentally relevant solutes, namely substituted alkyl‐aromatic molecules, chlorobenzenes, polychlorinated biphenyls (PCBs) and polychlorinated diphenyl ethers (PCDEs) using molecular simulation is elucidated here. The partition coefficients are calculated based on the absolute solvation Gibbs energies in each phase which are estimated from molecular dynamics simulations employing the thermodynamic integration approach. Very encouraging results, with average absolute deviations of 0.4 log P units are presented. Consequently, this molecular‐based approach with a strong physical background can provide reliable prediction of the partition coefficients in different solvent pairs without the a priori knowledge of experimental data. © 2011 American Institute of Chemical Engineers AIChE J, 58: 1929–1938, 2012
Organ donation after cardiac death in amyotrophic lateral sclerosis
Authors: Toossi Shahed , Lomen‐Hoerth Catherine , Josephson S. Andrew , Gropper Michael A. , Roberts John , Patton Kim , Smith Wade S.
Published: June 2011

Patients with amyotrophic lateral sclerosis (ALS) are often told that solid organ donation is not possible following death, although the reasons for exclusion are not evidence based. Because ALS patients typically remain sentient until death, organs may be procured under donation after cardiac death protocols. Anticipating this need, our institution created a process for organ donation in ventilator‐dependent ALS patients that was subsequently implemented. To our knowledge, this is the first report of organ donation in a patient with rapidly progressive ventilator‐dependent ALS. Ann Neurol 2012;71:154–156
Recovery from chronic spinal cord contusion after nogo receptor intervention
Authors: Wang Xingxing , Duffy Philip , McGee Aaron W. , Hasan Omar , Gould Grahame , Tu Nathan , Harel Noam Y. , Huang Yiyun , Carson Richard E. , Weinzimmer David , Ropchan Jim , Benowitz Larry I. , Cafferty William B. J. , Strittmatter Stephen M.
Published: June 2011

Objective:

Several interventions promote axonal growth and functional recovery when initiated shortly after central nervous system injury, including blockade of myelin‐derived inhibitors with soluble Nogo receptor (NgR1, RTN4R) decoy protein. We examined the efficacy of this intervention in the much more prevalent and refractory condition of chronic spinal cord injury.

Methods:

We eliminated the NgR1 pathway genetically in mice by conditional gene targeting starting 8 weeks after spinal hemisection injury and monitored locomotion in the open field and by video kinematics over the ensuing 4 months. In a separate pharmacological experiment, intrathecal NgR1 decoy protein administration was initiated 3 months after spinal cord contusion injury. Locomotion and raphespinal axon growth were assessed during 3 months of treatment between 4 and 6 months after contusion injury.

Results:

Conditional deletion of NgR1 in the chronic state results in gradual improvement of motor function accompanied by increased density of raphespinal axons in the caudal spinal cord. In chronic rat spinal contusion, NgR1 decoy treatment from 4 to 6 months after injury results in 29% (10 of 35) of rats recovering weight‐bearing status compared to 0% (0 of 29) of control rats (p < 0.05). Open field Basso, Beattie, and Bresnahan locomotor scores showed a significant improvement in the NgR‐treated group relative to the control group (p < 0.005, repeated measures analysis of variance). An increase in raphespinal axon density caudal to the injury is detected in NgR1 decoy‐treated animals by immunohistology and by positron emission tomography using a serotonin reuptake ligand.

Interpretation:

Antagonizing myelin‐derived inhibitors signaling with NgR1 decoy augments recovery from chronic spinal cord injury. ANN NEUROL 2011
Shuttle‐Mediated Drug Delivery to the Brain
Authors: Malakoutikhah Morteza , Teixidó Meritxell , Giralt Ernest
Published: June 2011

Advances in the field of shuttle‐mediated drug delivery have been made in the last decade; however, the treatment of brain disorders still remains a great challenge because of the presence of the blood–brain barrier (BBB), a structure that limits the access of drugs to their site of action in the central nervous system. Several strategies have been proposed to enhance the transport of drugs across the BBB. In this Review, we focus on the vector‐mediated approach, in which a drug is coupled to a molecule (shuttle) that has the ability to cross the BBB and deliver the drug to the brain.
Design and operation of unbaffled vessels agitated with an unsteadily forward–reverse rotating impeller handling solid–liquid dispersions
Authors: Yoshida M. , Kimura A. , Yoneyama A. , Tezura S.
Published: June 2011

An unbaffled vessel, which is an enhanced form of solid‐liquid apparatus, has been constructed; when fitted with an agitator using an impeller it rotates unsteadily in the alternate direction, i.e. a forward–reverse rotating impeller. For this type of solid–liquid agitation vessel, a disk turbine impeller with six flat blades was used; suspension of solid particles in liquid was studied on different apparatus scales. Empirical relations to predict the minimum impeller rotation rate for complete solid suspension were presented with variations in the solid–liquid conditions and apparatus geometrical conditions, including the scale effect. The agitation requirements for complete solid suspension were related to the liquid flow along the bottom of the vessel which is assumed to enhance off‐bottom suspension of solid particles. For off‐bottom suspension of solid particles, an effective flow characteristic produced by the forward–reverse rotating impeller set at a lower height was recognized from the viewpoint of the intensity of turbulence in the liquid flow. Copyright © 2011 Curtin University of Technology and John Wiley & Sons, Ltd.
Synthesis and characterization of polyacrylonitrile pregelled starch graft copolymers using ferrous sulfate‐hydrogen peroxide redox initiation system as surface sizing agent
Authors: Wang Chunyan , Li Xiaorui , Chen Jingqian , Fei Guiqiang , Wang Haihua , Liu Qin
Published: June 2011

A graft copolymer was synthesized by graft copolymerization of starch with styrene (St) and butyl acrylate (BA), using ferrous sulfate‐hydrogen peroxide redox initiation system. The starch was pregelled in the presence of acrylonitrile (AN) in aqueous alkali at high temperature before graft polymerization. Major factors affecting the polymerization reaction were investigated. It was found that a graft copolymer with higher percentage conversion (PC), graft efficiency (GE) and graft percentage (GP) was obtained by controlling the initiator concentration, concentration, and ratio of monomers and polymerization temperature. The optimum conditions were as follows: H2O2 concentration, 12%; monomer concentration, 120%; St/BA ratio, 1 : 1; polymerization temperature, 65°C. Fourier transform infrared spectroscopy and NMR analyses were used to gain information on the structure of the products. It was demonstrated that St, BA, and AN had been successfully grafted onto starch and CN had been saponified into CONH2 and COO− to a certain degree when pregelling. Scanning electron microscope micrographs showed the coarse structure and broad network. The graft polymerization took place on the surface of starch granule and led to amorphization of the starch structure. Graft polymer had better thermal stability and was endowed with pseudo‐plasticity. It was observed that the starch graft copolymer offers good properties such as water resistance as surface‐sizing agent. © 2011 Wiley Periodicals, Inc. J Appl Polym Sci, 2011
Surface oxidation of low‐density polyethylene films to improve their susceptibility toward environmental degradation
Authors: Roy P. K. , Surekha P. , Rajagopal C.
Published: June 2011

Polyethylene wastes, particularly as films, have accumulated over the last several decades resulting in a major visual litter problem. The aim of this study was to investigate the ability of chemical reagents to oxidize the low‐density polyethylene (LDPE) film surface to increase their susceptibility toward photodegradation and thermal degradation. Three chemical agents, namely, potassium permanganate, potassium persulfate, and benzoyl peroxide, were used to oxidize the film surface to generate chromophoric groups, such as carbonyl groups, which are the main reason for the enhanced environmental degradation of photolytic polymers, such as ethylene–carbon monoxide and ethylene–vinyl ketone copolymers. For the chemical treatment, LDPE films of 70 ± 5 μm thickness were prepared by a film‐blowing technique and subsequently reacted with the aforementioned oxidizing agents. To aid the oxidation process, the reaction with potassium persulfate and potassium permanganate was performed under microwave irradiation heating. In the case of benzoyl peroxide aided oxidation, the films were subjected to repeated coating–heating treatments up to a maximum of 10 cycles. The treated films were subjected to accelerated aging, that is, xenon‐arc weathering and air‐oven aging (at 70°C), for extended time periods. The chemical and physical changes induced as a result of aging were followed by the monitoring of changes in the mechanical, structural, and thermal properties. The results indicate that the surface‐oxidized LDPE films exhibited enhanced susceptibility toward degradation; however, the extent was reduced as compared to photolytic or other degradable compositions. The ability of the chemicals to initiate degradation followed the order potassium persulfate < potassium permanganate < benzoyl peroxide. © 2011 Wiley Periodicals, Inc. J Appl Polym Sci, 2011
Improvement in impact‐, tensile‐, and dynamic properties of injection molded wheat‐pulp‐polypropylene composites through fiber finishing
Authors: Sykacek Eva , Grzeskowiak Bogdan , Edlhofer Gerwig , Mundigler Norbert
Published: June 2011

This study was focused on the improvement of mechanical properties of injection molded wheat‐pulp polypropylene (PP) composites through fiber surface modifications. Ten different sizing and finishing agents, including fats, starch derivatives, and polysiloxanes were used as surfactants for the cellulosic pulp. As a result of polydimethylsiloxane treatment (0.3 wt %), impact strength was increased by 85%, tensile strength by 23%, and an augmentation in tensile modulus of 12% was also achieved. In consideration of the dynamic mechanical properties, the stronger effects of the modifiers on the storage‐ modulus were observed with increasing temperature. A new approach quantifying the extent of the dispersion of the pulp fibers using image analysis through transmission light micrographs was tested. The enhancement of tensile strength, tensile modulus, and impact strength could be attributed to the improved dispersion of the cellulosic fibers. © 2011 Wiley Periodicals, Inc. J Appl Polym Sci, 2011
A compatibilized composite of recycled polypropylene filled with cellulosic fiber from recycled corrugated paper board: Mechanical properties, morphology, and thermal behavior
Authors: Lin Zhidan , Chen Chao , Guan Zixian , Tan Shaozao , Zhang Xiuju
Published: June 2011

This article deals with the feasibility of using recycled corrugated paper board (rPF) as the reinforcing material for recycled plastics. The composites of recycled polypropylene (rPP) and rPF were prepared by extrusion compounding and injection molding, and the rPP/rPF composites compatibilized by maleic anhydride grafted PP (PP‐g‐MA), maleic anhydride grafted ethylene‐1‐octene copolymer (POE‐g‐MA), and maleic anhydride grafted styrene‐ethylene‐butylene‐styrene copolymer (SEBS‐g‐MA) were also prepared. The crystallization and melting behavior, mechanical properties, thermal stability, and morphology of these composites were studied. The results indicated that rPF promoted the crystallization, enhanced the strength and toughness of rPP/rPF composites to some extent while decreased thermal stability at the same time. PP‐g‐MA and POE‐g‐MA improved the dispersion and interface adhesion of rPF, and further upgraded the mechanical properties and vicat softening temperatures. Among these compatibilizers, PP‐g‐MA was most favorable to the strength improvement while POE‐g‐MA was most favorable to the toughness improvement. As for SEBS‐g‐MA, it had no obvious modification effect. © 2011 Wiley Periodicals, Inc. J Appl Polym Sci, 2011
FT‐IR studies on the curing behavior of polycardanol from naturally renewable resources
Authors: Zhou Qun , Cho Donghwan , Ho Park Won , Keun Song Bong , Kim Hyun‐Joong
Published: June 2011

In the present study, the curing behavior of polycardanol prepared by enzymatic oxidative polymerization of thermally treated cashew nut shell liquid, which can be available from naturally renewable resources, was explored in the presence of methyl ethyl ketone peroxide (MEKP) and cobalt naphthenate (Co‐Naph). The curing behavior was monitored varying Co‐Naph concentration and curing temperature by means of Fourier transform infrared (FT‐IR) spectroscopy. The result revealed that the characteristic absorption bands were significantly affected by the given curing condition, resulting mainly from the unsaturated moiety in the polycardanol molecule. The extent of curing of polycardanol strongly depended on curing temperature, showing a typically sigmoidal curve reaching almost 1.0 upon processing at 200°C for 120 min. The thermal curing conditions for preparing polycardanol with an optimal state of cure were provided in the work. © 2011 Wiley Periodicals, Inc. J Appl Polym Sci, 2011
Novel sulfur—containing benzophenone derivative as radical photoinitiator for photopolymerization
Authors: Pietrzak Marek , Wrzyszczyński Andrzej
Published: June 2011

A novel, highly efficient, polymerizable sulfur‐containing photoinitiator for free radical polymerization, benzophenone thio‐acetic acid (BP‐S‐CH2‐COOH) was synthesized, characterized, and compared to photoinitiator parameters of the benzophenone (BP) and benzophenone/(phenylthio)acetic acid couple. The photoinitiator possesses a greatly redshifted UV maximal absorption in comparison to BP. Laser flash photolysis studies suggest that photoinitiator radicals are generated by photocleavage of CS bond. Photopolymerization of 2‐ethyl‐2‐(hydroxymethyl)‐1,3‐propanediol triacrylate (TMPTA) demonstrated that one‐component system BPSCH2COOH is more efficient for polymerization than two‐component system. © 2011 Wiley Periodicals, Inc. J Appl Polym Sci, 2011
Modeling of nonisothermal film blowing process for non‐Newtonian fluids by using variational principles
Authors: Kolarik Roman , Zatloukal Martin
Published: June 2011

In this work, nonisothermal film blowing process analysis for non‐Newtonian polymer melts has been performed theoretically by using minimum energy approach and the obtained predictions were compared with both, theoretical and experimental data (internal bubble pressure, take‐up force, bubble shape, velocity and temperature profiles) taken from the open literature. For this purpose, recently proposed generalized Newtonian model depending on three principal invariants of the deformation rate tensor, D, and its absolute defined as
$\sqrt {D \cdot D}$
has been used. It has been found that film blowing model predictions are in very good agreement with the corresponding experimental data. © 2011 Wiley Periodicals, Inc. J Appl Polym Sci, 2011
Development of Embryonic Gill Vasculature in the Yellow Stingray, Urobatis Jamaicensis
Authors: Basten Bethany L. , Sherman Robin L. , Lametschwandtner Alois , Spieler Richard E.
Published: June 2011

Corrosion casting was utilized to examine the development of gill vasculature in embryonic yellow stingrays, Urobatis jamaicensis (formerly Urolophus jamaicensis). The most marked changes in vascular configuration of the gills occur in the earliest castable stages of gestation. These changes included development of afferent external gill filament vessels and progression from paired dorsal aortae to a single fused dorsal aorta. Internal gill vasculature was found to nearly match that of an adult by the time the external gill filaments had fully regressed and yolk sac had been exhausted (>47 mm disc width). Examination of embryo casts also revealed characteristics of the branchial vasculature not previously reported in adult specimens. These include the presence of pre‐lamellar sphincters, intertrematic branches, afferent distributing arteries, which supply blood to many afferent filament arteries resulting in greater interconnection of the filaments, and observation that the afferent branchial artery in the first hemibranch supplies blood directly to afferent filament arteries on the dorsal half of this arch. Anat Rec, 2011. © 2011 Wiley‐Liss, Inc.
Volumetric Analysis of the African Elephant Ventricular System
Authors: Maskeo Busisiwe C. , Spocter Muhammed A. , Haagensen Mark , Manger Paul R.
Published: June 2011

This study used magnetic resonance imaging (MRI) to determine the volume of the ventricular system in the brain of three adult male African elephants (Loxodonta africana). The ventricular system of the elephant has a volume of ∼240 mL, an order of magnitude larger than that seen in the adult human. Despite this large size, allometric analysis indicates that the volume of the ventricles in the elephant is what one would expect for a mammal with an ∼5 kg brain. Interestingly, our comparison with other mammals revealed that primates appear to have small relative ventricular volumes, and that megachiropterans and microchiropterans follow different scaling rules when comparing ventricular volume to brain mass indicating separate phylogenetic histories. The current study provides context for one aspect of the elephant brain in the broader picture of mammalian brain evolution. Anat Rec, 2011. © 2011 Wiley‐Liss, Inc.
Expression of Mortalin Detected in Human Liver Cancer by Tissue Microarrays
Authors: Chen Xi , Xu Bo , Li Hongyan , Yang Ling , Zuo Ji , Liu Wen , Liu Chenghai
Published: June 2011

Mortalin is a highly conserved molecular chaperone in the heat shock protein (HSP) 70 family, which plays a role in carcinogenesis. The relationship between tumors and the expression of Mortalin is not fully elucidated. In this study, human tumor specimens from various organs of liver cancer at different stages and cultured liver cancer cells were used to study the expression pattern of Mortalin. Through immunohistochemistry we showed that Mortalin was significantly higher in tumors than in adjacent benign tissues. Using liver tissue microarrays tested on hepatocellular carcinomas, Mortalin expression was consecutively higher with advanced tumor stages. Mortalin expression on the cultured liver cancer cells were characterized with immunocytochemistry, Real‐time PCR, and western blot. The results showed that the expression level is markedly higher in the SMMC 7721 (a liver‐derived tumor cell line) than in the HL 7702 (a normal liver cell line) in the protein level only. Understanding the role of Mortalin in tumors may lead to development of a new therapeutic target in cancer treatment. Anat Rec, 2011. © 2011 Wiley‐Liss, Inc.
Effects of Advanced Age on the Morphometry and Degenerative State of the Cervical Spine in a Rat Model
Authors: Laing Andrew C. , Cox Riley , Tetzlaff Wolfram , Oxland Thomas
Published: June 2011

Aging causes changes in the geometry of the human cervical spine that may influence the tissue response to applied loads. Rat models are often used to study spinal cord injuries (SCI) and have the potential to enhance our understanding of the effect of age on SCI. The goal of this study was to characterize the morphometry and degenerative state of the cervical spine in Fisher 344 rats, and to determine the influence of age on these variables. Fifteen rats were split into three age groups: young adult (3 months of age), aged (12–18 months) and geriatric (30 months). Following tissue harvest we used a μCT scanner to image the cervical and upper thoracic spine from each specimen. Analysis software was used to measure variables including canal pinch diameter (the most rostral point on the dorsal aspect of a vertebral body to the most caudal aspect of the lamina on the immediately rostral vertebra), vertebral canal depth, width, and area, vertebral body height, depth, width, and area, and intervertebral disc thickness. Orthopaedic surgeons used midsagittal images to rate the degenerative state of the intervertebral discs. For all measures except disc thickness there was a significant increase (mean (SD) = 15.0 (9.7)%) for the aged compared to young specimens (P < 0.05). There were significant differences between the aged and geriatric specimens for only vertebral body depth (P = 0.016) and area (P = 0.020). Intervertebral disc degeneration was significantly greater on the ventral aspect of the spinal column (P < 0.001), with a trend toward increased degeneration in the geriatric specimens (P = 0.069). The results suggest that age‐related morphometric differences may need to be accounted for in experimental aging models of SCI in rats. Anat Rec, 2011. © 2011 Wiley‐Liss, Inc.
Development and Expression of Amyloid‐β Peptide 42 in Retinal Ganglion Cells in Rats
Authors: Wang Jianqiang , Zhu Chunfang , Xu Yirong , Liu Bin , Wang Minchen , Wu Kaiyun
Published: June 2011

The previous studies have shown that Amyloid‐β peptide (Aβ) was mainly found in neurons of neurodegenerative diseases, such as Alzheimer's disease (AD) and glaucoma and little is known about its expression in normal nerve cells. The aim of the present study was to investigate the expression of amyloid‐β peptide 42 (Aβ‐42) in retinal ganglion cells of the postnatal rats. Rats were divided into seven experimental groups: 3, 6, 13, 15, 25, 60, and 90 days postnatal groups. Rats from 15 and 25 days postnatal groups were further divided into light‐exposure and non light‐exposure group. Cryosections or flat‐mounted retinas of rat eyes were used for testing Aβ‐42 by immunocytochemistry staining. Aβ‐42 expression was not observed in rats within 13 days after birth, but was easily detectable in all groups of rats over 15 days after birth. In addition, the expression of Aβ‐42 in retina was increasing as the rats got older, reached to highest level in 60 days after birth. Furthermore, the expression of Aβ‐42 was not detected in rats kept under dark indicating that light is required for the expression of Aβ‐42 in retina. This is the first report showing that normal retinal ganglion cells express Aβ‐42, and that the expression of Aβ‐42 in retinal ganglion cells requires the exposure to light. These data suggest that Aβ‐42 may play a important role in vision development. Anat Rec, 2011. © 2011 Wiley‐Liss, Inc.
Solution‐Processable n‐Type Organic Field‐Effect Transistor (OFET) Materials Based on Carbonyl‐Bridged Bithiazole and Dioxocyclopentene‐Annelated Thiophenes
Authors: Nitani Masashi , Ie Yutaka , Tada Hirokazu , Aso Yoshio
Published: June 2011

A series of electronegative π‐conjugated compounds composed of carbonyl‐bridged bithiazole and alkyl‐substituted dioxocyclopenta[b]thiophene were synthesized as a candidate for solution‐processable n‐type organic semiconductor materials and characterized on the basis of photophysical and electrochemical properties. Cyclic voltammetry measurements showed that the first half‐wave reduction potentials of these compounds are between −0.97 and −1.14 V versus ferrocene/ferrocenium, which corresponds to lowest unoccupied molecular orbital energy levels between −3.83 and −3.66 eV. Thanks to hexyl or dodecyl groups in the molecules, the compounds are sufficiently soluble to realize the fabrication of their thin films through a spin‐coating method. As a result, the prepared organic field‐effect transistors based on these newly developed compounds exhibited n‐channel characteristics not only under vacuum but also in air, and the best field‐effect electron mobility observed under vacuum was 0.011 cm2 V−1 s−1 with an on/off ratio of 108 and a threshold voltage of 16 V.
Photoinduced Reversible Topographical Changes on Diarylethene Microcrystalline Surfaces with Biomimetic Wetting Properties
Authors: Nishikawa Naoki , Uyama Ayaka , Kamitanaka Takashi , Mayama Hiroyuki , Kojima Yuko , Yokojima Satoshi , Nakamura Shinichiro , Tsujii Kaoru , Uchida Kingo
Published: June 2011

Reversible topographical changes were observed on a photochromic diarylethene microcrystalline film surface by alternate irradiation with UV and visible light. Two types of surfaces were prepared from this film: 1) Storage of the film at 30 °C for 24 hours in the dark after UV irradiation afforded a surface that was covered with needle‐shaped crystals, whose diameter and length were approximately 1 μm and 10 μm, respectively, and showed a superhydrophobic lotus effect. 2) Storage of the film at 70 °C for 3 hours in the dark caused the needle‐shaped crystals to be converted into larger rod‐like crystals (5∼8 μm wide and 20∼30 μm long) by Ostwald ripening and a disappearance of the lotus effect. The obtained activation energy of the formation of the needle‐ and rod‐shaped crystals was 143 and 162 kJ mol−1, respectively. Subsequent UV irradiation to the surface, which was followed by storage at 50 °C for 1 hour in the dark, gave a doubly rough structure; small needle‐shaped crystals were formed between the larger rod‐shaped crystals. The surface showed both superhydrophobic properties and the pinned effect of the water droplet: the petal effect. Fractal analysis of both surfaces were carried out using a box‐counting method, and the lotus effect was observed in the presence of smaller‐sized crystals, whilst the petal effect was observed with larger sized crystals (ca. 100 μm). We demonstrated that the hydrophobic property was controlled by the distribution in crystal size of the closed‐ring isomer of the diarylethene. Visible‐light irradiation of both rough surfaces afforded surfaces with cubic‐shaped micro‐crystals of the open‐ring isomer.
Modeling and control of an airbrake electro‐hydraulic smart actuator
Authors: Rubagotti Matteo , Carminati Marco , Clemente Giampiero , Grassetti Riccardo , Ferrara Antonella
Published: July 2011

In this paper, an accurate model of an airbrake electro‐hydraulic smart actuator is obtained by physical considerations, and then different control strategies (variable‐gain proportional control, PT1 control with switching integrator, and second order sub‐optimal sliding mode control) are proposed and analyzed. This application is innovative in the avionic field, and is one of the first attempts to realize a fly‐by‐wire system for airbrakes, oriented to its immediate employment and installation on current aircraft. The project was carried on with the participation of the Italian Ministry of Defense, and was commissioned to MAG, a leading provider of integrated systems and aviation services for aerospace.

Copyright © 2011 John Wiley and Sons Asia Pte Ltd and Chinese Automatic Control Society
Business indicators of healthcare quality: Outlier detection in small samples
Authors: Vidmar Gaj , Blagus Rok , Střelec Luboš , Stehlík Milan
Published: June 2011

Healthcare quality monitoring by the Ministry of Health in Slovenia includes over 100 business indicators of economy, efficiency and funding allocation, which are analysed annually for over 20 hospitals. Most of these indicators are random‐denominator same‐quantity ratios with a strongly correlated numerator and denominator, and the goal is the identification of outliers. A large simulation study was performed to study the performance of three types of methods: common outlier detection tests for small samples—Grubbs, Dean and Dixon, and Nalimov tests—applied unconditionally and conditionally upon results of Shapiro–Wilk normality test; the boxplot rule; and the double‐square‐root control chart, for which we introduced regression‐through‐origin‐based control limits. Pert, Burr and three‐parameter loglogistic distributions, which fitted the real data best, were used with no, one or two outliers in the simulated samples of sizes 5 to 30. Small (below 0.2, right skewed) and large (above 0.5, more symmetrical) ratios were simulated. Performance of the methods varied greatly across the conditions. Formal small‐sample tests proved virtually useless if applied conditionally upon passed normality pre‐test in the presence of outliers. Boxplot rule performed most variedly but was the only useful one for tiny samples. Our variant of the double‐square‐root control chart proved too conservative in tiny samples and too liberal for samples of size 20 or more without outliers but appeared the most useful to detect actual outliers in samples of the latter size. As a possibility for future improvement and research, we propose pre‐testing of normality by using a class of robustified Jarque–Bera tests. Copyright © 2011 John Wiley & Sons, Ltd.
Serum inverts and improves the fluorescence response of an aptamer beacon to various vitamin D analytes
Authors: Bruno John G. , Carrillo Maria P. , Phillips Taylor , Edge Allison
Published: June 2011

A dominant aptamer loop structure from a library of nearly 100 candidate aptamer sequences developed against immobilized 25‐hydroxyvitamin D3 (calcidiol) was converted into a 5′‐TYE 665 and 3′‐Iowa black‐labelled aptamer beacon. The aptamer beacon exhibited a mild 'lights on' reaction in buffer as a function of increasing concentrations of several vitamin D analogues and metabolites, with a limit of detection of approximately 200 ng/mL, and was not specific for any particular congener. In 10% or 50% human serum, the same aptamer beacon inverted its fluorescence behaviour to become a more intense 'lights off' reaction with an improved limit of detection in the range 4–16 ng/mL. We hypothesized that this drastic change in fluorescence behaviour was due to the presence of creatinine and urea in serum, which might destabilize the quenched beacon, causing an increase in fluorescence followed by decreasing fluorescence as a function of vitamin D concentrations that may bind and quench increasingly greater fractions of the denatured beacons. However, the results of several control experiments in the presence of physiological or greater concentrations of creatinine and urea, alone or combined in buffer, failed to produce the beacon fluorescence inversion. Other possible mechanistic hypotheses are also discussed. Copyright © 2011 John Wiley & Sons, Ltd.
Multifunctional organic–inorganic composite luminescent nanospheres
Authors: Zhu Yanyu , Zhao Yaoyao , Ma Yingxin , Deng Mingliang , Wang Leyu
Published: June 2011

A simple general strategy was successfully developed for the preparation of magnetic–luminescent multifunctional nanocomposites by incorporating fluorescent (pyrene) and magnetic (Fe3O4) components simultaneously into a poly(styrene‐co‐methacrylic acid) [poly(St‐co‐MAA)] copolymer matrix. The nanospheres so prepared were characterized using scanning electron microscopy (SEM), powder X‐ray diffraction (XRD) and Fourier transform infrared (FTIR) analysis. The prepared magnetic–fluorescent inorganic–organic nanocomposites have excellent magnetic and photoluminescent properties. They can be used in magnetic separation of trace amounts of sample, fluorescence detection and imaging applications, including magnetic resonance imaging (MRI) and fluorescence imaging. The fluorescence quenching of the nanospheres in the presence of different amounts of Cu2+ ions was also investigated. Under optimal experimental conditions, the relative fluorescence intensity of the composite nanosphere colloidal solution is proportional to the concentration of Cu2+ ions, which indicates that these multifunctional nanocomposites can be used for the magnetic separation and fluorescence detection of Cu2+ ions. Copyright © 2011 John Wiley & Sons, Ltd.
Timing of cholecystectomy after mild biliary pancreatitis
Authors:   Dutch Pancreatitis Study Group, Bakker O J , van Santvoort H C , Hagenaars J C , Besselink M G , Bollen T L , Gooszen H G , Schaapherder A F
Published: June 2011

Background

The aim of the study was to evaluate recurrent biliary events as a consequence of delay in cholecystectomy following mild biliary pancreatitis.

Methods

Between 2004 and 2007, patients with acute pancreatitis were registered prospectively in 15 Dutch hospitals. Patients with mild biliary pancreatitis were candidates for cholecystectomy. Recurrent biliary events requiring admission before and after cholecystectomy, and after endoscopic sphincterotomy (ES), were evaluated.

Results

Of 308 patients with mild biliary pancreatitis, 267 were candidates for cholecystectomy. Eighteen patients underwent cholecystectomy during the initial admission, leaving 249 potential candidates for cholecystectomy after discharge. Cholecystectomy was performed after a median of 6 weeks in 188 patients (75·5 per cent). Before cholecystectomy, 34 patients (13·7 per cent) were readmitted for biliary events, including 24 with recurrent biliary pancreatitis. ES was performed in 108 patients during the initial admission. Eight (7·4 per cent) of these patients suffered from biliary events after ES and before cholecystectomy, compared with 26 (18·4 per cent) of 141 patients who did not have ES (risk ratio 0·51, 95 per cent confidence interval 0·27 to 0·94; P = 0·015). Following cholecystectomy, eight (3·9 per cent) of 206 patients developed biliary events after a median of 31 weeks. Only 142 (53·2 per cent) of 267 patients were treated in accordance with the Dutch guideline, which recommends cholecystectomy or ES during the index admission or within 3 weeks thereafter.

Conclusion

A delay in cholecystectomy after mild biliary pancreatitis carries a substantial risk of recurrent biliary events. ES reduces the risk of recurrent pancreatitis but not of other biliary events.
Incidence, nature and impact of error in surgery
Authors: Bosma E , Veen E J , Roukema J A
Published: June 2011

Background

Adverse events occur in 3·8–17 per cent of hospital admissions. The purpose of this study was to analyse the incidence of medical errors and assess the feasibility of an error registry for quality improvement programmes.

Methods

Errors were recorded prospectively in a complication registry between 1 June 2005 and 31 December 2007. Events were coded according to the Trauma Registry of the American College of Surgeons; the nature of events was recorded and the severity graded using the 1992 Clavien system. Recorded events were discussed by the medical staff on a daily basis and, if by consensus judged to be errors, were saved to the registry database.

Results

Of 12 121 patients admitted to the surgical ward during the study interval, 2033 (16·8 per cent) had a complication and 735 (6·1 per cent) had an error documented in the registry. Of 873 recorded errors, 607 (69·5 per cent) were of little or no consequence (Clavien grade I) and 220 (25·2 per cent) required therapeutic intervention (Clavien grade IIa and IIb). Errors leading to permanent injury (Clavien grade III) occurred in 41 instances (4·7 per cent) and five patients (0·6 per cent) died (Clavien grade IV).

Conclusion

This study shows that errors are common in surgery, and that near misses are more frequent than errors with serious consequences. It is hypothesized that registration of near misses might prevent errors with serious consequences and thus improve quality of care.
Importance of specimen length during temporal artery biopsy
Authors: Ypsilantis E , Courtney E D , Chopra N , Karthikesalingam A , Eltayab M , Katsoulas N , Tang T Y , Ball R Y
Published: June 2011

Background

Variations in surgical technique of temporal artery biopsy (TAB) performed for diagnosis of giant cell arteritis (GCA) may contribute to high false-negative rates. This was a retrospective analysis of a large database that explored potential associations between specimen length and diagnostic sensitivity of TAB.

Methods

Histopathological reports and medical records of patients who underwent TAB in six hospitals between 2004 and 2009 were reviewed.

Results

A total of 966 biopsies were analysed. The median postfixation specimen length was 1 (range 0·1–8·5) cm and 207 biopsies (21·4 per cent) were positive for GCA. Significant variation in prebiopsy erythrocyte sedimentation rate (ESR), arterial specimen length and positive results was noted amongst hospitals. Multivariable analysis revealed that patient age, ESR value and specimen length were independent predictors of GCA. Positive biopsies had significantly longer median specimen length compared with negative biopsies: 1·2 (range 0·3–8·5) versus 1·0 (0·2–8·0) cm respectively (P = 0·001). Receiver operating characteristic (ROC) analysis identified postfixation specimen length of at least 0·7 cm as the cut-off length with highest positive predictive value for a positive biopsy (area under ROC curve 0·574). Biopsies with specimen length of 0·7 cm or more had a significantly higher rate of positive results than smaller specimens (24·8 versus 12·9 per cent respectively; odds ratio 2·17, P = 0·001).

Conclusion

Specimen length and ESR were independent prognostic factors of a positive TAB result. A uniform referral practice and standard specimen length of approximately 1 cm could help eliminate discrepancies in the results of TAB.
Randomized clinical trial of tissue glue versus absorbable sutures for mesh fixation in local anaesthetic Lichtenstein hernia repair
Authors: Paajanen H , Kössi J , Silvasti S , Hulmi T , Hakala T
Published: June 2011

Background

Chronic pain may be a long-term problem related to mesh fixation and operative trauma after Lichtenstein hernioplasty. The aim of this study was to compare the feasibility and safety of tissue cyanoacrylate glue versus absorbable sutures for mesh fixation in Lichtenstein hernioplasty.

Methods

Lichtenstein hernioplasty was performed under local anaesthesia as a day-case operation in one of three hospitals. The patients were randomized to receive either absorbable polyglycolic acid 3/0 sutures (Dexon®; 151 hernias) or 1 ml butyl-2-cyanoacrylate tissue glue (Glubran®; 151 hernias) for fixation of lightweight mesh (Optilene®). Wound complications, pain, discomfort and recurrence were identified at 1 and 7 days, 1 month and 1 year after surgery.

Results

A total of 302 patients were included in the study. The mean(s.d.) duration of operation was 34(12) min in the glue group and 36(13) min in the suture group (P = 0·113). The need for analgesics was similar during the first 24 h after surgery. Five wound infections (3·4 per cent) were detected in the glue group and two (1·4 per cent) in the suture group (P = 0·448). The recurrence rate at 1 year was 1·4 per cent in each group (P = 1·000). The rates of foreign body sensation, acute and chronic pain were similar in the two groups. Logistic regression analysis showed that the type of mesh fixation did not predict chronic pain 1 year after surgery.

Conclusion

Mesh fixation without sutures in Lichtenstein hernioplasty was feasible without compromising postoperative outcome. Registration number: NCT00659542 (http://www.clinicaltrials.gov).
Secondary Transfer Effect of Intergroup Contact: The Role of Intergroup Attitudes, Intergroup Anxiety and Perspective Taking
Authors: Vezzali Loris , Giovannini Dino
Published: July 2011

We conducted a field study to investigate the secondary transfer effect of intergroup contact, consisting in the generalisation of the positive effects of intergroup contact to outgroups uninvolved in the contact situation. Italian secondary school students (N = 175) filled out a questionnaire; the effects of prior contact were statistically controlled. Results showed that contact with immigrants improved attitudes toward them. In turn, these attitudes generalised to attitudes toward two dissimilar outgroups not directly involved in contact: disabled and homosexuals. Notably, we found evidence for a secondary transfer effect of intergroup anxiety and perspective taking, which generalised from immigrants to the disabled and homosexuals. Evidence was found for the mediating role of intergroup attitudes, intergroup anxiety and perspective taking. The theoretical and practical implications of findings are discussed. Copyright © 2011 John Wiley & Sons, Ltd.
The prevalence of mental disorders in Spanish prisons
Authors: Vicens Enric , Tort Vicenç , Dueñas Rosa María , Muro Álvaro , Pérez‐Arnau Francesc , Arroyo José Manuel , Acín Enrique , De Vicente Angel , Guerrero Rafael , Lluch Joan , Planella Ramón , Sarda Pilar
Published: June 2011

Background

The prevalence of mental disorders among prisoners has been researched in a few countries worldwide but never previously in Spain.

Aim

Our aim was to estimate the lifetime and last month prevalence of mental disorders in a Spanish prison population.

Methods

This is a descriptive, cross‐sectional, epidemiological study of 707 male prisoners. Sociodemographic, clinical and offending data were collected by interviewers. Offending data were confirmed using penitentiary records. Mental disorders were assessed with the clinical version of the Structured Clinical Interview for Diagnostic and Statistical Manual of Mental Disorders—Fourth Edition Axis I Disorders, and personality disorders were assessed through the Spanish version of the International Personality Disorders Examination.

Results

The lifetime prevalence of mental disorder was 84.4%. Substance use disorder (abuse and dependence) was the most frequent disorder (76.2%) followed by anxiety disorder (45.3%), mood disorder (41%) and psychotic disorder (10.7%). The period (last month) prevalence of any mental disorder was 41.2%. Anxiety disorder was the most prevalent (23.3%) followed by substance use disorder (abuse and dependence; 17.5%), mood disorder (14.9%) and psychotic disorder (4.2%).

Conclusion

Although period prevalence figures, which are those generally provided in research into rates of mental disorder among prisoners, are useful for planning improvements to services within prisons, the fact that almost all of these men had a lifetime prevalence of at least one mental disorder suggests a much wider need for improving services, including community services, for this group. Copyright © 2011 John Wiley & Sons, Ltd.
Lewis Base Assisted Brønsted Base Catalysis: Direct Regioselective Asymmetric Vinylogous Alkylation of Allylic Sulfones
Authors: Jiang Lin , Lei Qian , Huang Xin , Cui Hai‐Lei , Zhou Xue , Chen Ying‐Chun
Published: June 2011

A Lewis base assisted Brønsted base catalysis (LBABB) strategy is applied for direct asymmetric vinylogous alkylation of allylic sulfones with Morita–Baylis–Hillman (MBH) carbonates, in which a strong Brønsted base, tert‐butoxy anion, generated in situ from a tertiary amine catalyst and MBH carbonate, is crucial in activating unstabilized nucleophiles. The γ‐regioselective alkylation products were obtained with good to excellent enantiomeric excess values when catalyzed by a modified cinchona alkaloid.
ChemInform Abstract: Molybdenum Cluster Halide Compound Mo6Cl12(OH2)2 with Six‐Handed Linkage Hydrogen Bonding.
Authors: Inumaru Kei , Anzai Atsushi , Kikudome Takashi , Harada Momoko , Sakai Hiroyuki , Ide Yusuke , Sano Tsuneji , Yamanaka Shoji
Published: June 2011

The title compound is prepared by reaction of Mo6Cl12 (obtained from MoCl5 and NaCl at 993 K) with water at ambient temperature and characterized by powder XRD and 1H MAS NMR spectroscopy.
ChemInform Abstract: First Experimental Evidence of a New D4‐AgCoO2 Delafossite Stacking.
Authors: Berthelot R. , Pollet M. , Doumerc J.‐P. , Delmas C.
Published: June 2011

A new polytype of AgCoO2 delafossite is synthesized from the ordered OP4‐LixNayCoO2 by ion exchange using a mixture of AgNO3 and KNO3 (300 °C, 15 h).
ChemInform Abstract: Structurally‐Driven Metal‐Insulator Transition in Ca2Ru1‐xCrxO4 (0 ≤ x ≤ 0.14): A Single Crystal X‐Ray Diffraction Study.
Authors: Qi T. F. , Ge M. , Korneta O. B. , Parkin S. , De Long L. E. , Cao G.
Published: June 2011

Ca2Ru1‐xCrxO4 (0 ≤ x ≤ 0.14) single crystals are grown by the floating zone method from stoichiometric mixtures of RuO2 and Cr2O3 (1050 °C, 24 h).
ChemInform Abstract: Improved Capacity and Rate Capability of Ru‐Doped and Carbon‐Coated Li4Ti5O12 Anode Material.
Authors: Lin Chih‐Yuan , Jhan Yi‐Ruei , Duh Jenq‐Gong
Published: June 2011

Pure Li4Ti5O12, modified Li4Ti5O12/C, Li4Ru0.01Ti4.99O12, and Li4Ru0.01Ti4.99O12/C are prepared by solid state reaction of LiCl, TiCl4, RuCl3, and (COOH)2 or sucrose (800 °C, 10 h).
ChemInform Abstract: Dehydrogenation Tuning of Ammine Borohydrides Using Double‐Metal Cations.
Authors: Guo Yanhui , Wu Hui , Zhou Wei , Yu Xuebin
Published: June 2011

Li2Al(BH4)5·6NH3 is prepared by ball‐milling of Al(BH4)3·6NH3 and LiBH4.
ChemInform Abstract: Synthesis, Spectroscopic and Structural Studies on Vanadium(V) Periodates.
Authors: Hector Andrew L. , Levason William
Published: June 2011

Compounds (VI) and (VIII) are amorphous and attempts at crystallization fail.
ChemInform Abstract: New Quaternary Tellurite and Selenite: Synthesis, Structure, and Characterization of Centrosymmetric InVTe2O8 and Noncentrosymmetric InVSe2O8
Authors: Lee Dong Woo , Oh Seung‐Jin , Halasyamani P. Shiv , Ok Kang Min
Published: June 2011

The new title compounds are synthesized as crystals and pure bulk powders by solid state reaction of In2O3, V2O5, and TeO2 or SeO2 (550—700 °C, 48 h).
ChemInform Abstract: Structural and Spectroscopic Characterization of Plutonyl(VI) Nitrate under Acidic Conditions.
Authors: Gaunt Andrew J. , May Iain , Neu Mary P. , Reilly Sean D. , Scott Brian L.
Published: June 2011

Crystals of [PuO2(NO3)2(H2O)2] ·H2O are prepared by evaporation of a solution of PuVI in 1 M aq.
ChemInform Abstract: Iron Salts with the Tetracyanidoborate Anion: [FeIII(H2O)6] [B(CN)4]3, Coordination Polymer [FeII(H2O)2{ϰ2N [B(CN)4]}2], and [FeII(DMF)6][B(CN)4]2.
Authors: Nitschke Christian , Koeckerling Martin
Published: June 2011

The single crystal X‐ray structures, thermochemical properties, electrochemical characteristics, and vibrational spectra of (III), the coordination polymer [FeII(H2O)2{ϰ2N [B(CN)4]}2] (V), and (VI) are given.
ChemInform Abstract: Structural Study and Physical Properties of a New Phosphate KCuFe(PO4)2.
Authors: Badri Abdessalem , Hidouri Mourad , Lopez Maria Luisa , Pico Carlos , Wattiaux Alain , Amara Mongi Ben
Published: June 2011

Single crystals of the new title compound are prepared in a flux of potassium dimolybdate from mixtures of KNO3, Cu(NO3)2, Fe(NO3)3, (NH4)2HPO4, and MoO3 (Pt crucible, 1173 K, 1 h).
ChemInform Abstract: Guanidine‐Catalyzed Enantioselective Desymmetrization of meso‐Aziridines.
Authors: Zhang Yan , Kee Choon Wee , Lee Richmond , Fu Xiao , Soh Julian Ying‐Teck , Loh Esther Mun Foong , Huang Kuo‐Wei , Tan Choon‐Hong
Published: June 2011

An aminoindanol‐derived guanidine is prepared and successfully applied as chiral catalyst in the desymmetrization of a variety of meso‐aziridines with sulfur nucleophiles.
ChemInform Abstract: Enantioselective Prevost and Woodward Reactions Using Chiral Hypervalent Iodine(III): Switchover of Stereochemical Course of an Optically Active 1,3‐Dioxolan‐2‐yl Cation.
Authors: Fujita Morifumi , Wakita Mikimasa , Sugimura Takashi
Published: June 2011

The reaction of alkenes (VI) with chiral hypervalent iodine reagent in the presence of acetic acid and the subsequent acetylation of the resulting regioisomeric mixture of monoacetylated products affords desired syn‐diacetates (VII) with high diastereo‐ and enantioselectivities.
ChemInform Abstract: Sequential Birch Reaction and Asymmetric Ir‐Catalyzed Hydrogenation as a Route to Chiral Building Blocks.
Authors: Paptchikhine Alexander , Itto Kaori , Andersson Pher G.
Published: June 2011

The developed methodology of sequential Birch reduction and asymmetric hydrogenation of di‐ and trisubstituted arenes provides a convenient access to chiral, substituted cyclohexane derivatives in high enantio‐ and diastereoselectivity.