bluuebunny/crossref_metadata_2025 huggingface dataset:
Determination of PAHS in Dust from Shanghai by Optimized SFE and GC/MS
Authors: Ren Yu , Lian Jin‐jun , Xue Hua‐xin , Chen Jian‐min , Cheng Tian‐tao
Published: November 2006

EPA 16 priority polycyclic aromatic hydrocarbons (PAHs) were extracted from dust by supercritical fluid extraction (SFE). Parameters (pressure, temperature and time) affecting the collection efficiencies of PAHs were assessed according to the extraction efficiency, and 30 MPa, 80 °C and 30 min dynamic extraction time were confirmed to be the best and simplest conditions of SFE to extract 16 priority PAHs from dust. The characterization of the extracts was carried out by gas chromatography with mass detector in selective ion mode (GC/MS/SIM). Ultrasonic extraction (USE) was used as a comparison with SFE. The results showed that the SFE method has a better efficiency than USE for the extraction of PAHs in dust. With the optimized conditions of SFE, the distribution of PAHs in dust samples in urban areas of Shanghai from Mar 10, 2005 to May 28, 2005 was investigated. The results demonstrated that traffic emission, especially from gasoline engines, was the main source of PAHs in dust of Shanghai.
Preparation and Solvent Extraction of Nickel Complex of O, O'‐Dinonyldithiophosphate and its Application to Spectrophotometric Determination of Nickel in Sediment Samples
Authors: Gümgüm Bahattin , Bi̇ri̇ci̇k Nermin , Baysal Akın , Akba Osman , Öztürk Gülşen
Published: November 2006

Nickel complex of O, O'‐dinonyldithiophosphoric acid was prepared and characterised. Solvent extraction of nickel dinonyldithiophosphate[Ni(DNDTP)2] from acidic aqueous solutions into different organic phases was investigated and concentration of nickel was determined spectrophotometrically. A simple and selective spectrophotometric method was developed and applied to sediment samples.
A multiscale scheme for modeling catalytic flow reactors
Authors: Majumder Debarshi , Broadbelt Linda J.
Published: November 2006

A multiscale modeling approach was developed to capture concentration variations in the fluid in two dimensions for catalytic flow reactors. The methodology couples continuum descriptions of the fluid phase and kinetic Monte Carlo simulations of the catalyst domain. A number of catalytic domains, placed as patches along the length of the reactor, were solved using kinetic Monte Carlo (kMC) and linked with a finite difference (FD) solver for the fluid phase. Patch dynamics concepts, such as lifting, restriction and interpolation, were employed to provide the complete set of boundary conditions to the continuum solver. A simple kinetic mechanism involving adsorption, desorption and a single‐step surface reaction was used to validate the approach by comparing the solution obtained using the multiscale scheme with a model solved using a wholly implicit solution. Solutions from a mean‐field model and the multiscale scheme for a system in which surface diffusion was low were then contrasted. © 2006 American Institute of Chemical Engineers AIChE J, 2006
PVRL1 variants contribute to non‐syndromic cleft lip and palate in multiple populations
Authors: Avila Joseph R. , Jezewski Peter A. , Vieira Alexandre R. , Orioli Iêda M. , Castilla Eduardo E. , Christensen Kaare , Daack‐Hirsch Sandra , Romitti Paul A. , Murray Jeffrey C.
Published: November 2006

Poliovirus Receptor Like‐1 (PVRL1) is a member of the immunoglobulin super family that acts in the initiation and maintenance of epithelial adherens junctions and is mutated in the cleft lip and palate/ectodermal dysplasia 1 syndrome (CLPED1, OMIM #225000). In addition, a common non‐sense mutation in PVRL1 was discovered more often among non‐syndromic sporadic clefting cases in Northern Venezuela in a previous case‐control study. The present work sought to ascertain the role of PVRL1 in the sporadic forms of orofacial clefting in multiple populations. Multiple rare and common variants from all three splice isoforms were initially ascertained by sequencing 92 Iowan and 86 Filipino cases and CEPH controls. Using a family‐based analysis to examine these variants, the common glycine allele of the G361V coding variant was significantly overtransmitted among all orofacial clefting phenotypes (P = 0.005). This represented G361V genotyping from over 800 Iowan, Danish, and Filipino families. Among four rare amino acid changes found within the V1 and C1 domains, S112T and T131A were found adjacent to critical amino acid positions within the V1 variable domain, regions previously shown to mediate cell‐to‐cell and cell‐to‐virus adhesion. The T131A variant was not found in over 1,300 non‐affected control samples although the alanine is found in other species. The serine of the S112T variant position is conserved across all known PVRL1 sequences. Together these data suggest that both rare and common mutations within PVRL1 make a minor contribution to disrupting the initiation and regulation of cell‐to‐cell adhesion and downstream morphogenesis of the embryonic face. © 2006 Wiley‐Liss, Inc.
Cover Picture: “Sulflower”: A New Form of Carbon Sulfide (Angew. Chem. Int. Ed. 44/2006)
Authors: Chernichenko Konstantin Yu. , Sumerin Viktor V. , Shpanchenko Roman V. , Balenkova Elizabeth S. , Nenajdenko Valentine G.
Published: November 2006

The bloom of a sunflower is used to describe the highly symmetric planar structure of octathio[8]circulene, whose trivial name “sulflower” derives from sulfur and flower (see cover picture). In their Communication on page 7367 ff., V. G. Nenajdenko and co‐workers describe the synthesis and characterization of sulflower, a molecule that can be considered as a new form of carbon sulfide and as an oligothiophene, that is, as both inorganic and organic. (Background picture: “Sunflowers” by Vincent van Gogh. Copyright: Neue Pinakothek, Munich.)
Catalytic effect of ferricyanide between myoglobin and luminol and effect of temperature
Authors: Gao Xin , Liu Yanhong , Song Zhenghua
Published: November 2006

Specific catalytic oxidation of oxymyoglobin (MbO2) and luminol by ferricyanide was studied in a flow‐injection system. MbO2 in different redox states (ferric and ferrous) was oxidized to Mb(FeIII) by ferricyanide, and then specific binding of the ferrocyanide anion to Mb(FeIII) to the His 119 (GH1) region accelerated the electron transfer between Mb(FeIII) and luminol, which produced a chemiluminescence (CL) signal at 425 nm. The increased CL emission was correlated with the myoglobin concentration in the range 0.16–7.5 µg/mL. Thermogravimetry and differential scanning calorimetry were used to investigate the temperature effects on this reaction. The results showed that the CL intensity in the presence of myoglobin changed considerably with heating in the range 15–50°C, and the maximal CL intensity was observed at 40°C, corresponding to the glass transition temperature of myoglobin. The effect of different ligands and interferences were also studied. Copyright © 2006 John Wiley & Sons, Ltd.
Studies on PVP hydrogel‐supported luminol chemiluminescence: 1. Kinetic and mechanistic aspects using multivariate factorial analysis
Authors: Bastos Erick Leite , Ciscato Luiz Francisco Monteiro Leite , Bartoloni Fernando Heering , Catalani Luiz Henrique , Baader Wilhelm Josef
Published: November 2006

The chemiluminescent oxidation of luminol by hydrogen peroxide in the presence of hemin is revisited in an UV‐C cross‐linked PVP hydrogel. Chemiluminescence properties such as initial light intensity (I0), area of emission (S) and observed rate constants (kobs) are studied, varying the concentration of all reactants using a multivariate factorial approach. Copyright © 2006 John Wiley & Sons, Ltd.
Glycine Conjugates in a Lepidopteran Insect Herbivore—The Metabolism of Benzylglucosinolate in the Cabbage White Butterfly, Pieris rapae
Authors: Vergara Fredd , Svatoš Aleš , Schneider Bernd , Reichelt Michael , Gershenzon Jonathan , Wittstock Ute
Published: November 2006

Herbivores have developed a wide array of countermeasures to overcome plants' chemical defences. Larvae of the cabbage white butterfly, Pieris rapae, feed exclusively on plants of the Brassicales order, which are defended by the glucosinolate–myrosinase system. The defensive function of this system comes from toxic isothiocyanates that are formed when glucosinolates are hydrolysed by myrosinases upon tissue damage. Here we show that P. rapae larvae convert benzylglucosinolate to phenylacetylglycine, which is released in their faeces. Feeding experiments with isotopic tracers suggest that phenylacetonitrile and phenylacetic acid are intermediates in this conversion. We also identified additional glycine and isoserine (2‐hydroxy‐3‐aminopropanoic acid) conjugates with benzoate and indole‐3‐carboxylate from P. rapae faeces extracts. This is the first description of such conjugates from lepidopteran insects.
Asymmetric Synthesis of Rubiginones A2 and C2 and Their 11‐Methoxy Regioisomers
Authors: Carreño M. Carmen , Somoza Álvaro , Ribagorda María , Urbano Antonio
Published: November 2006

Convergent enantioselective syntheses of angucyclinone‐type natural products rubiginones A2 (2) and C2 (1) and their 11‐methoxy regioisomers 3 a and 3 b have been achieved by using two domino processes from a common enantiomerically pure 1‐vinylcyclohexene 4. Key steps in the synthesis of this diene were the stereoselective conjugate addition of AlMe3 on (SS)‐[(p‐tolylsulfinyl)methyl]‐p‐quinol (9) and the elimination of the β‐hydroxy sulfoxide fragment, after oxidation to sulfone, to recover a carbonyl group. The first domino sequence comprised Diels–Alder reaction with a sulfinyl naphthoquinone followed by sulfoxide elimination. An efficient opposite regioselection in the cycloaddition step was achieved in the convergent construction of the tetracyclic skeleton using a sulfoxide at C‐2 or C‐3 of the dienophiles 5 or 6, derived from 5‐methoxy‐1,4‐naphthoquinone. The second domino process, triggered by oxygen and sunlight, allowed the transformation of the initial tetracyclic adducts into the final products after B ring aromatization, silyl deprotection and C‐1 oxidation.
Imaging with Chemical Analysis: Adsorbed Structures Formed during Surface Chemical Reactions
Authors: Locatelli Andrea , Kiskinova Maya
Published: November 2006

Imaging surfaces and interfaces with structural and chemical specificity has been essential for understanding a variety of phenomena occurring in adsorbed layers during surface chemical reactions. A recent achievement of chemical imaging with spectroscopic analysis is the experimental proof of theoretically predicted spontaneous formation of regular patterns of metal adatoms during surface chemical reactions. An attractive feature of this finding is that the reaction rate and adlayer coverage can be employed to precisely control the morphology of the structures. The mechanisms of these self‐organisation phenomena, driven by the interplay between energetic principles and kinetics, opens a conceptually novel route to creating a wide range of surface‐supported functional structures at the micro‐ and nanometre length scales.
Preparation and application of a new doubly tethered chiral stationary phase containing NCH3 amide linkage based on (+)‐(18‐crown‐6)‐2,3,11,12‐tetracarboxylic acid
Authors: Hyun Myung Ho , Cho Yoon Jae , Song Yanci , Choi Hee Jung , Kang Bu Sung
Published: November 2006

A new doubly tethered chiral stationary phase (CSP 5) based on (+)‐(18‐crown‐6)‐2,3,11,12‐tetracarboxylic acid was developed by attaching the second tethering group to silica gel through a carbon atom of the first tethering group of the corresponding singly tethered CSP (CSP 2) containing an NCH3 tertiary amide linkage, which was previously developed in our laboratory, in order to enhance the CSP stability without the loss of chiral recognition efficiency. The new CSP was quite effective in the resolution of various racemic α‐amino acids, amines, and amino alcohols, and the chiral recognition efficiency of the new CSP was even greater than that of the corresponding singly tethered CSP especially in terms of the resolution factors (RS). The stability of the new CSP was greater than that of the corresponding singly tethered CSP. The chromatographic resolution behaviors of the new CSP were generally consistent with those of the corresponding singly tethered CSP. Chirality, 2006. © 2006 Wiley‐Liss, Inc.
Intended and unintended effects of an eating disorder educational program: Impact of presenter identity
Authors: Schwartz Marlene B. , Thomas Jennifer J. , Bohan Kristin M. , Vartanian Lenny R.
Published: November 2006

Objective:

This study examines the impact of presenter identity on the intended and unintended effects of an eating disorder educational program.

Method:

High school students viewed one of two identical videotaped discussions about eating disorders. In one condition, the presenter was identified as an “eating disorder specialist”; in the other condition, she was identified as a “recovered patient.” Before and after watching the video, participants reported on their awareness of various eating disorder symptoms, their beliefs about individuals with eating disorders, and their opinion of the presenter.

Results:

At Time 2, both groups reported increased knowledge about eating disorders. There was also evidence of increased endorsement of a number of implicit messages, particularly among those in the “recovered patient” group (e.g., “Girls with eating disorders are very pretty”; “It would be nice to look like” the presenter).

Conclusion:

The unintended effects of eating disorder educational programs should be investigated before implementation because of their potential to undermine program efficacy. © 2006 by Wiley Periodicals, Inc. Int J Eat Disord 2006
W(CO)4(diimine) Structure Revised – Correlating Structure to π* Back‐Bonding
Authors: Makedonas Christodoulos , Mitsopoulou Christiana A.
Published: November 2006

The bending of axial and equatorial carbonyls, one of the main structural features of the M(CO)4(diimine) compounds (M = Cr, Mo, and W), is elucidated in terms of the π* back‐bonding theory by a frontier molecular orbital analysis. Employing W(CO)4(phen) (phen = 1,10‐phenanthroline) as a reference compound has proved that the deviation from orthogonality stabilizes the structure by a total amount of 2.95 kJ/mol. Moreover, by an extended comparison of severalW(CO)4(diimine) structures, the importance of the magnitude of the binding angle in determining the bonding in these complexes in comparison to the traditional approach of the W–C and C–O bond lengths is underlined. As a result, it is proposed that the correct indices of the extent of back‐donation are the deviations of the C–W–C angles from orthogonality and the O–C–W angles from linearity. It is indicated for the first time that the larger the existing deviation the stronger the back‐donation. Moreover, a structure‐to‐properties relation is provided that correlates the bending of the carbonyls to the extent of back‐donation. Back‐donation is expected to be correlated to the electronic properties of the compounds, such as the extent of solvatochromism.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)
Pentacarbonyl[2‐(2′‐pyridyl)quinoxaline‐κN4]tungsten: A Combined Study of Its Conformational and Electronic Structure Based on Experimental and DFT‐TDDFT Data
Authors: Makedonas Christodoulos , Veroni Irene , Mitsopoulou Christiana A.
Published: November 2006

Photolysis of W(CO)6 in the presence of 2‐(2′‐pyridyl)quinoxaline (pq) results in the formation of W(CO)4(pq) via an intermediate product W(CO)5(N4‐pq) (1). In 1 the pq ligand that has three nitrogen atoms – two pyridine and one quinoxaline type – is coordinated in a monodentate fashion. This is the first example, where the pq ligand is coordinated in a monodentate fashion and especially from a quinoxaline nitrogen atom (N4). Complex 1 has been fully characterized and its crystal structure has unambiguously demonstrated that pq is preferably coordinated through N4 rather than the N1 and N1′ atoms, while its packing is governed by π–π interactions and hydrogen bonds. The almost perfect “face‐to‐face” alignment of the condensed quinoxaline rings is attributed to the existence of the electron‐withdrawing groups, namely W(CO)5 and the pyridine ring. The aforementioned preference for N4 atoms has been elucidated by thermodynamic means and explained in terms of the frontier orbitals. Time‐dependent density functional theory has been used for the investigation of the excited states of 1. The calculated vertical excitation energies are consistent with the experimental data showing that the low‐lying solvatochromic band of 1 in the UV/Vis spectra is best described by the term MLCT/LLCT.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)
New Type of Photoluminescent Iridium Complex: Novel Synthetic Route for Cationic trans‐Bis(2‐phenylpyridinato)iridium(III) Complex
Authors: Chin Chong Shik , Eum Min‐Sik , Kim Song yi , Kim Choongil , Kang Sung Kwon
Published: November 2006

A new type of iridium(III) complex [trans‐Ir(ppy)2(PPh3)2]+ (1) has been prepared by a novel synthetic method and its structural and photoluminescent characteristics have been compared with those of the cis analogue, [cis‐Ir(ppy)2(PPh3)(P(OPh)3)]+ (2) which has also been newly prepared in this study. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)
Involvement of the left anterior insula and frontopolar gyrus in odor discrimination
Authors: Plailly Jane , Radnovich Alexander J. , Sabri Merav , Royet Jean‐Pierre , Kareken David A.
Published: November 2006

Discriminating between successively presented odors requires brief storage of the first odor's perceptual trace, which then needs to be subsequently compared to the second odor in the pair. This study explores the cortical areas involved in odor discrimination and compares them with findings from studies of working‐memory, traditionally investigated with n‐back paradigms. Sixteen right‐handed subjects underwent H215O positron emission tomography during counterbalanced conditions of odorless sniffing, repeated single odor detection, multiple odor detection, and conscious successive discrimination between odor pairs. Eight odorants were delivered using a computer‐controlled olfactometer through a birhinal nasal cannula. Conscious successive odor discrimination evoked significantly greater activity in the left anterior insula and frontopolar gyrus when compared to reported sensory detection of the identical odors. Additional activation was found in the left lateral orbital/inferior frontal and middle frontal gyri when discrimination was compared to the odorless condition. The left anterior insula is likely involved in the evaluation of odor properties. Consistent with other studies, frontopolar and middle frontal gyrus activation is more likely related to working memory during odor discrimination. Hum Brain Mapp, 2007. © 2006 Wiley‐Liss, Inc.
Temperature‐induced surfactant‐ mediated pre‐concentration of uranium assisted by complexation
Authors: Favre‐Réguillon Alain , Murat Denis , Cote Gérard , Foos Jacques , Draye Micheline
Published: November 2006

Cloud‐point extraction (CPE) was used with lipophilic chelating agent to extract uranium(VI) from aqueous solutions. The methodology used is based on the formation of metal complexes soluble in a micellar phase of a non‐ionic surfactant, Triton X‐114. The metal ions complexes are then extracted into the surfactant‐rich phase at a temperature above the cloud‐point temperature. The influence of surfactant concentration on extraction efficiency was studied and the advantage of adding 8‐hydroxyquinoline (8HQ) as lipophilic chelating agent was evidenced. High extraction efficiency was observed, indicating the feasibility of extracting U(VI) using CPE. This study describes a four‐step process—(1) extraction, (2) thermo‐induced phase splitting, (3) back‐extraction and (4) second phase splitting—for the recovery of uranium from water. In our conditions, the extraction yield is quantitative and the concentration factor obtained is superior to 100. After stripping with a diluted nitric acid solution (pH < 1), the system can be recycled through a new four‐step cycle. Copyright © 2006 Society of Chemical Industry
Utilization of green seed canola oil for biodiesel production
Authors: Kulkarni Mangesh G , Dalai Ajay K , Bakhshi Narendra N
Published: November 2006

Increasing percentage of green canola seed every year is a serious problem for canola growers. Chlorophyll content of this oil is very high, which makes it more susceptible to photo‐oxidation and ultimately the oxidation stability of the oil is very reduced. Hence green seed canola oil is underutilized for edible purposes. The present work is an attempt to produce high‐quality biodiesel from green seed canola oil and methanol, ethanol and various mixtures of methanol and ethanol using KOH as a catalyst. A mixture of alcohols improved the rate of reaction. After transesterification of green seed canola oil using KOH, the chlorophyll content of the oil was decreased substantially (from 22.1 ppm to 10.3 ppm). Characteristics of the esters prepared from green seed canola oil were well within the limits of ASTM standards. Lubricity of the green seed oil esters was excellent (20% decrease in wear scar area) when added at 1 vol% to the base fuel. Oxidation stability is crucial for long‐term storage of the fuel. Oxidation stability index (OSI) of green seed esters was 4.9 h at 110 °C, which is much less than the European Standard (6 h at 100 °C). The low oxidation stability of green seed esters is attributed to its higher chlorophyll (10.3 ppm) content. An attempt was also made to reduce the chlorophyll content of the oil before transesterification using activated carbon treatment, and it was observed that chlorophyll content was reduced from 22.1 to 2.2 ppm. Copyright © 2006 Society of Chemical Industry
Continuous production of biosurfactant with foam fractionation
Authors: Chen Chien‐Yen , Baker Simon C. , Darton Richard C.
Published: November 2006

A glucose‐limited chemostat was used to determine the growth parameters of BBK006 for continuous production of the biosurfactant surfactin. The continuous cultivation exhibited low maintenance metabolism (m = 0.39 mmolglucose gbacteria−1 h−1) and high molar growth yield ($Y_{x/S}^{\max} = 30.8$ gbacteria molglucose−1). It was found that the surfactin production rate in continuous culture was not only a function of dilution rate but also varied with the initial concentration of glucose in the feed. A high steady state concentration of surfactin (18 mg L−1) was maintained in the culture at a dilution rate of 0.2 h−1 when glucose concentration in the feed was 0.25 g L−1. This is the first demonstration of continuous surfactin production and recovery using glucose as a carbon source. The production of surfactin is known to be related to the age of the microorganisms and a simple mathematical model has been constructed to show how the age‐related production can be quantified. Copyright © 2006 Society of Chemical Industry
Synthesis of [1‐11C]propyl and [1‐11C]butyl iodide from [11C]carbon monoxide and their use in alkylation reactions
Authors: Eriksson Jonas , Antoni Gunnar , Långström Bengt
Published: November 2006

A method to prepare [1‐11C]propyl iodide and [1‐11C]butyl iodide from [11C]carbon monoxide via a three step reaction sequence is presented. Palladium mediated formylation of ethene with [11C]carbon monoxide and hydrogen gave [1‐11C]propionaldehyde and [1‐11C]propionic acid. The carbonylation products were reduced and subsequently converted to [1‐11C]propyl iodide. Labelled propyl iodide was obtained in 58±4% decay corrected radiochemical yield and with a specific radioactivity of 270±33 GBq/µmol within 15 min from approximately 12 GBq of [11C]carbon monoxide. The position of the label was confirmed by 13C‐labelling and 13C‐NMR analysis. [1‐11C]Butyl iodide was obtained correspondingly from propene and approximately 8 GBq of [11C]carbon monoxide, in 34±2% decay corrected radiochemical yield and with a specific radioactivity of 146±20 GBq/µmol. The alkyl iodides were used in model reactions to synthesize [O‐propyl‐1‐11C]propyl and [O‐butyl‐1‐11C]butyl benzoate. Propyl and butyl analogues of etomidate, a β‐11‐hydroxylase inhibitor, were also synthesized. Copyright © 2006 John Wiley & Sons, Ltd.
Influence of surface finish on fatigue cracking behavior of reactor pressure vessel steel in high temperature water
Authors: Wu X.Q. , Guan H. , Han E. H. , Ke W. , Katada Y.
Published: November 2006

The low cycle fatigue behavior of a low‐alloy reactor pressure vessel (RPV) steel was investigated in high temperature water. Main attention was paid to the effects of surface finish of specimens on fatigue cracking behavior. It was found that the influence of surface finish on fatigue resistance of the steel was strain‐rate dependent in high temperature water. Pretty obvious degradation of fatigue resistance appeared at fast strain rate with rougher surface finish. At slow strain rate, surface circumferential scratches promoted crack initiation and propagation. The fracture surface showed relatively flat and slight crack‐arrest features. At fast strain rate, surface scratches also promoted crack initiation, but seemed not to dominate crack propagation. The fracture surface showed typical terraced and fan‐like features. The above fatigue cracking behavior can be rationalized by a strain‐rate dependent environmentally assisted cracking process of low‐alloy RPV steel in high temperature water.
A case study of a pipe line burst in the Mihama Nuclear Power Plant
Authors: Matsumura M.
Published: November 2006

On August ninth, 2004, at the Mihama nuclear power plant in Japan, a carbon steel pipe line carrying hot water under high pressure burst, killing five workers employed in maintenance job nearby. The major cause for the burst was presumed to be the pipe wall thinning due to so‐called erosion‐corrosion which had been revealed to be the cause of similar accident in 1986 at the Surry nuclear power plant in USA. However, the opinion of this author is that the wall thinning must have been caused through differential flow velocity corrosion accompanied with passivation, the origin of which was irregularities in the fluid flow velocity as well as in the pipe wall temperature. A rationale is presented that is consistent with this hypothesis. A countermeasure to this type of corrosion is also proposed.
Entacapone to tolcapone switch: Multicenter double‐blind, randomized, active‐controlled trial in advanced Parkinson's disease
Authors:   The Entacapone to Tolcapone Switch Study Investigators
Published: November 2006

This double‐blind study examined the efficacy and safety of replacing entacapone with tolcapone in fluctuating Parkinson's disease (PD) patients. Patients receiving entacapone for ≥15 days were randomly assigned to continue entacapone (n = 75) or switch to tolcapone (n = 75) and were followed up for 3 weeks. Efficacy measures included changes in on time (without disabling dyskinesia) and an investigator's global assessment (IGA). The on time increased by ≥1 hour/day (primary efficacy measure) in 43% of entacapone‐treated patients and 53% of tolcapone‐treated patients, and by ≥3 hours/day in 13% and 25%, respectively. The IGA indicated moderate/marked improvements in 25% of entacapone patients and 39% receiving tolcapone. Response rates (the proportion of patients with ≥1 hour/day increase in on time and improvements on IGA) were 17% with entacapone and 32% with tolcapone. Dyskinesia was the most common adverse event affecting 29% of entacapone and 31% of tolcapone recipients. One patient in each group had elevated liver enzymes, resulting in treatment withdrawal (levels returned to normal thereafter in both cases). In conclusion, within the limits of the protocol, there was a tendency for tolcapone to offer enhanced efficacy in patients with fluctuating PD, despite optimized entacapone therapy. Tolcapone can be considered, therefore, for patients whose motor fluctuations are inadequately controlled by their existing regimen. © 2006 Movement Disorder Society
Diffusion‐weighted magnetic resonance imaging differentiates Parkinsonian variant of multiple‐system atrophy from progressive supranuclear palsy
Authors: Paviour Dominic C. , Thornton John S. , Lees Andrew J. , Jäger H. Rolf
Published: November 2006

Progressive supranuclear palsy (PSP) and the parkinsonian variant of multiple‐system atrophy (MSA‐P) may present with a similar phenotype. Magnetic resonance diffusion‐weighted imaging (DWI) has been shown to be a sensitive discriminator of MSA‐P from Parkinson's disease (PD). We studied 20 PSP, 11 MSA‐P, 12 PD patients and 7 healthy controls in order to investigate whether regional apparent diffusion coefficients (rADCs) help distinguish PSP and MSA‐P; whether rADCs are correlated with clinical disease severity scores; and the relationship between brainstem and cerebellar volumes and rADCs in PSP and MSA‐P. The Unified Parkinson's Disease Rating Scale, Hoehn and Yahr score, Mini Mental State Examination, and frontal assessment battery were recorded in all patients. Regional ADCs were measured in the middle cerebellar peduncle (MCP), caudal and rostral pons, midbrain, decussating fibers of the superior cerebellar peduncle, thalamus, putamen, globus pallidus, caudate nucleus, corpus callosum, frontal and parietal white matter, as well as the centrum semiovale. In MSA‐P, rADCs in the MCP and rostral pons were significantly greater than in PSP (P < 0.001 and 0.009) and PD (P < 0.001 and = 0.002). Stepwise logistic regression revealed that the MCP rADC distinguishes MSA‐P from PSP with a sensitivity of 91% and a specificity of 84%. Increased brainstem rADCs were associated with motor deficit in MSA‐P and PSP. Increased rADCs in the pons and MCP were associated with smaller pontine and cerebellar volumes in MSA‐P. rADCs distinguish MSA‐P from PSP. These have a clinical correlate and are associated with reduced brainstem and cerebellar volumes. © 2006 Movement Disorder Society
Cyclic preference scheduling for nurses using branch and price
Authors: Purnomo Hadi W. , Bard Jonathan F.
Published: November 2006

This paper presents a new methodology to solve the cyclic preference scheduling problem for hourly workers. The focus is on nurse rostering but is applicable to any organization in which the midterm scheduling decision must take into account a complex of legal, institutional, and preferential constraints. The objective is to strike a balance between satisfying individual preferences and minimizing personnel costs. The common practice is to consider each planning period independently and to generate new rosters at the beginning of each. To reduce some of the instability in the process, there is a growing trend toward cyclic schedules, which are easier to manage and are generally perceived to be more equitable. To address this problem, a new integer programming model is presented that combines the elements of both cyclic and preference scheduling. To find solutions, a branch‐and‐price algorithm is developed that makes use of several branching rules and an extremely effective rounding heuristic. A unique feature of the formulation is that the master problem contains integer rather than binary variables. Computational results are reported for problem instances with up to 200 nurses. Most were solved within 10 minutes and many within 3 minutes when a double aggregation approach was applicable. © 2006 Wiley Periodicals, Inc. Naval Research Logistics, 2007.
Classical and mixed finite elements for static and dynamic analysis of piezoelectric plates
Authors: Carrera E. , Boscolo M.
Published: November 2006

This paper addresses the problem of multilayered plates with embedded piezoelectric layers by finite element method (FEM). Original ideas in previous papers (Int. J. Numer. Methods Eng. 2002; 195: 191–231, 253–291) have been extended to the static and dynamic analysis of coupled electro‐mechanical problems. Two variational statements, the Principle of Virtual Displacements (PVD) and the Reissner Mixed Variational Theorem (RMVT) are employed to derive classical and mixed finite element matrices, respectively. Transverse stress assumptions are made in the framework of RMVT and the resulting finite elements describe a priori interlaminar continuous transverse shear and normal stresses. The unified formulation (UF) has been referred to in order to derive hierarchical finite elements (FEs) in term of a few fundamental nuclei for a large variety of piezoelectric plate theories. Both modellings that preserve the number of variables independent from the number of layers (equivalent single layer models, ESLM) and layer‐wise models (LWM) in which the same variables are independent in each layer have been treated. The expansion order N assumed for displacement, transverse stress and electrical potential fields in the plate thickness direction z as well as the number of the element nodes Nn have been taken as free parameters of the considered formulations. By varying N, Nn, variable treatment (LW or ESL) as well as variational statements (PVD and RMVT), a large number of FEs have been presented. Compliances and/or stiffness are accumulated from layer to multilayered level according to the corresponding variable treatment.

The numerical evaluations and assessment for the presented plate elements have been provided. The superiority of RMVT applications with respect to classical ones based on PVD has been confirmed for piezolectric plates. The proposed RMVT elements, in fact, are able to give a quasi‐three‐dimensional description of stress/strain mechanical and electrical fields in multilayered thick and thin piezolectric plates. Copyright © 2006 John Wiley & Sons, Ltd.
The determination of the ion selectivity of synthetic ion channels and pores in vesicles
Authors: Sakai Naomi , Matile Stefan
Published: November 2006

Organic chemists entering the field of synthetic ion channels and pores are often restricted to the characterization of their creation by fluorescence kinetics in vesicles and do not have access to conductance experiments in planar bilayer membranes. This limitation excludes the application of methods to evaluate key characteristics such as ion selectivity or voltage gating that are routine in the membrane biophysics community. The objective of this account is to offer to the non‐expert an introduction to the assessment of ion selectivity in vesicles with examples from years of research on functional rigid‐rod molecules in biomembranes (For a complementary introduction to the determination of voltage dependence in vesicles, see Sakai N, Matile S. Chem. Biodiv. 2004, 1: 28). Copyright © 2006 John Wiley & Sons, Ltd.
Free radical scavenging capacity of hydroxycinnamic acids and related compounds
Authors: Pino Eduardo , Campos Ana M. , López‐Alarcón Camilo , Aspée Alexis , Lissi Eduardo
Published: November 2006

The capacity of hydroxycinnamic acid derivatives to trap peroxyl radicals was evaluated by competitive kinetics and oxygen radical absorbance capacity (ORAC) indexes, using c‐phycocyanin and pyranine as target molecules. The pattern of results is similar in all the systems, with the reactivity of the compound determined by the bond dissociation energy (BDE) of the hydrogen atom of the phenolic moiety. However, differences in the relative reactivity are observed depending upon the employed methodology (initial rate of consumption or ORAC‐type methodology) and target molecule employed. These differences are explained in terms of the role played by secondary reactions of the initially formed phenoxyl radicals. This emphasizes the need for performing a complete kinetic analysis of the results in order to obtain meaningful evaluations of the relative reactivity of the tested compounds. Copyright © 2006 John Wiley & Sons, Ltd.
Reaction mechanism and chemotaxonomy in the formation of the type I indole alkaloids derived from secologanin
Authors: Szabó László F.
Published: November 2006

The history of biomolecules is written into the structure of their educts and products. The group of indole alkaloids derived from secologanin and tryptamine has more than 2000 individual compounds isolated mainly from the Rubiaceae, Loganiaceae, and Apocynaceae plant families and having strictosidine as a common precursor. To detect their history in its main lines, the compounds isolated from the same or closely related species were ordered as intermediates into reaction sequences according to the principles of basic organic reaction mechanisms. The analysis is restricted to the main lines of the monomeric alkaloids having one un‐rearranged secologanin subunit (type I) closed to N‐4 atom and one tryptamine subunit in intact or cleaved form. Deglucosylation of strictosidine opens the way for different types of cyclizations. Subsequent key bond‐braking and bond‐making reactions involve bond C‐5C‐6 in the tryptamine subunit, bond C‐15C‐16 in the secologanin subunit, and bond C‐3C‐7 at the attachment of the two subunits, and indicate the crucial importance of a strong long‐range through‐bond interaction between the two nitrogen atoms. With a few principles it was possible to interpret such important biogenetic‐type steps, as the formation of the akuammidan and akuammilan bridges, the transition from the vincosan into the strychnan and further to the aspidospermatan skeleton, the breaking and transformation of the side‐chain of the triptamine subunit and the cleavage of the strategic bond C‐15C‐16 toward the formation of the formation of type II and type III alkaloids. The transformations are finely tuned by the stable chirality of C‐15, and activation of C‐7 and N‐4. Fragmentations and rearrangement are important reactions in these transformations, and abundantly supported by chemotaxonomic data based on the Dictionary of Natural Products Database (Version 14.1, 2006, Chapman and Hall/CRC, New York, London, 2005). Copyright © 2006 John Wiley & Sons, Ltd.
The course of severe fatigue in disease‐free breast cancer patients: a longitudinal study
Authors: Servaes P. , Gielissen M. F. M. , Verhagen S. , Bleijenberg G.
Published: November 2006

Background: We investigated whether fatigue is a persistent problem, and whether persistent fatigue is related to former treatment modalities. In addition, we studied the predictors of persistent fatigue.

Methods: At baseline (n=150, mean time since cancer treatment=29 months) patients were asked to fill out several questionnaires on psychological, physical, social, cognitive and behavioral aspects (Ann. Oncol. 2002;13:589–598). During the 2 years after baseline patients were asked to fill out monthly a fatigue questionnaire (CIS‐fatigue). Hundred‐twenty‐one patients completed the study, 10 dropped out and 19 had a disease recurrence.

Results: Twenty‐four percent of the patients experienced persistent severe fatigue complaints during the 2‐year observation period. Persistent fatigue seemed to be related to the duration of former treatment but unrelated to type of surgery, type of adjuvant therapy and time since treatment finished. High anxiety, high impairment in role functioning and low sense of control over fatigue symptoms at baseline were predictors of persistent fatigue.

Conclusion: Fatigue appears to be a persistent problem for a quarter of a sample of disease‐free breast cancer patients during a 2‐year period. The predictors of persistent fatigue found in this study can be helpful for the development of interventions to reduce post‐treatment fatigue. Copyright © 2006 John Wiley & Sons, Ltd.
Chronic oral administration of ginseng extract results in behavioral change but has no effects in mice models of affective and anxiety disorders
Authors: Einat Haim
Published: November 2006

Ginseng is a popular ‘tonic’ herb in Chinese traditional medicine with diverse biological activity. The core of ginseng's therapeutic abilities is thought to be its neuroprotective actions in increasing cellular resilience. These actions coincide with novel theories of affective and anxiety disorders and raise the possibility that ginseng may serve as medication for these common and devastating diseases. The present study was designed to explore the possible effects of chronic ginseng extract, administered in a clinically relevant schedule (similar to antidepressants) in animal models of affective and anxiety disorders.

Groups of mice received chronic oral treatment with ginseng extract (500 mg/kg/day for 3 weeks) and were tested in a large open eld, in the emergence test for anxiolytic activity, the forced swim test for antidepressant activity and the amphetamine hyperactivity test for mood stabilizing activity.

Chronic ginseng had a signicant effect on reducing spontaneous locomotor activity in the open eld test but not on the distribution of activity and had no inßuence on the performance of mice in any of the specic models.

Although the extract used in this study contained signicant levels of ginsenosides, detailed analysis of the brain levels of the active ingredients of ginseng may be needed to make a far reaching conclusion. However, the doses and schedule of administration of ginseng used in the present study induced some behavioral changes but did not inßuence affective‐ and anxiety‐like measures. Copyright © 2006 John Wiley & Sons, Ltd.
An ICA approach to semi‐blind identification of strictly proper systems based on interactor polynomial matrix
Authors: Even Jani , Sugimoto Kenji
Published: November 2006

This paper presents an identification method for strictly proper systems with input signals partially unknown but mutually independent. Due to recent progress in independent component analysis (ICA), it has been feasible to identifybipropersystems with unknown inputs by resorting to a finite impulse response (FIR) approximation. By means of an interactor polynomial matrix, the paper generalizes the existing method to strictly proper systems. The method is further generalized to the case where some input components are known, which is often the case in control engineering. Copyright © 2006 John Wiley & Sons, Ltd.
Fetal pleuroamniotic shunting for bronchopulmonary sequestration with hydrops
Authors: Hayashi S. , Sago H. , Kitano Y. , Kuroda T. , Honna T. , Nakamura T. , Ito Y. , Kitagawa M. , Natori M.
Published: November 2006

Bronchopulmonary sequestration (BPS), a non‐functional pulmonary tissue mass, when complicated by fetal hydrops, carries a high risk of perinatal mortality. However, a limited number of cases of BPS complicated by fetal hydrops with an informative clinical course have been reported. We report here on three cases of BPS complicated by fetal hydrothorax and hydrops that were successfully treated by pleuroamniotic shunting, which should be considered as a treatment option for fetal hydrothorax and hydrops associated with BPS. Copyright © 2006 ISUOG. Published by John Wiley & Sons, Ltd.
Pyroclastic flow dynamics and hazard in a caldera setting: Application to Phlegrean Fields (Italy)
Authors: Todesco Micol , Neri Augusto , Esposti Ongaro Tomaso , Papale Paolo , Rosi Mauro
Published: November 2006

Numerical simulation of pyroclastic density currents has developed significantly in recent years and is increasingly applied to volcanological research. Results from physical modeling are commonly taken into account in volcanic hazard assessment and in the definition of hazard mitigation strategies. In this work, we modeled pyroclastic density currents in the Phlegrean Fields caldera, where flows propagating along the flat ground could be confined by the old crater rims that separate downtown Naples from the caldera. The different eruptive scenarios (mass eruption rates, magma compositions, and water contents) were based on available knowledge of this volcanic system, and appropriate vent conditions were calculated for each scenario. Simulations were performed along different topographic profiles to evaluate the effects of topographic barriers on flow propagation. Simulations highlighted interesting features associated with the presence of obstacles such as the development of backflows. Complex interaction between outward moving fronts and backflows can affect flow propagation; if backflows reach the vent, they can even interfere with fountain dynamics and induce a more collapsing behavior. Results show that in the case of large events (≥108 kg/s), obstacles affect flow propagation by reducing flow velocity and hence dynamic pressure in distal regions, but they cannot stop the advancement of flows. Deadly conditions (in terms of temperature and ash concentration) characterize the entire region invaded by pyroclastic flows. In the case of small events (2.5 × 107 kg/s), flows are confined by distal topographic barriers which provide valuable protection to the region beyond.
Strong ozone production in urban plumes from Beijing, China
Authors: Wang Tao , Ding Aijun , Gao Jian , Wu Wai Shing
Published: November 2006

We report recent measurements of ozone (O3) and related trace gases obtained in June–July 2005 in a mountainous area north of Beijing. Of the 39 days of observation, there were 13 days whose 1‐hr O3 mixing ratio exceeded 120 ppbv, with a maximum level of 286 ppbv, which is the highest reported value in open literature for China. Analysis of plume characteristics and air‐mass back trajectories show the highest concentrations of O3 (and other trace gases) were mainly due to emissions from the Beijing urban area. O3 was strongly correlated with NOy with O3‐NOy regression slopes of 3–6 ppbv/ppbv in the six episodes examined. In contrast to some observations from North America, the positive O3‐NOy correlation in the Beijing plumes extended to NOy mixing ratios up to 55 ppbv, suggesting an important role of NOx in the formation of O3 in Beijing. The very high concentrations of O3 revealed in our study imply significant negative effects on vegetation and regional air quality.
Influence of the Brewer‐Dobson circulation on stratosphere‐troposphere exchange
Authors: Salby Murry L. , Callaghan Patrick F.
Published: November 2006

A three‐dimensional model of dynamics and photochemistry is used to investigate how transfers of mass and chemical constituents between the stratosphere and troposphere are influenced by changes of the residual mean circulation. Under climatological‐mean conditions, the integration recovers a transfer of ozone into the extratropical troposphere that is consistent with the observed increase of tropospheric ozone during winter. Large at middle and high latitude, it reflects the downward transfer of stratospheric air, which is compensated at lower latitude by an upward transfer of tropospheric air. Changes representative of those observed between years modulate these transfers by ∼10%. The structure at low latitude, however, is sensitive to the quasi‐biennial oscillation's residual circulation, which interferes with the upwelling that must return mass to the stratosphere at the same rate that it is rejected at middle and high latitude. These exchanges of mass couple the circulation in the troposphere to that in the stratosphere, implying the involvement of the Hadley circulation.
Low-energy electron collisions with gas-phase uracil
Authors: Winstead Carl , McKoy Vincent
Published: November 2006

We have studied gas-phase collisions between slow electrons and uracil molecules with a view to understanding the resonance structure of the scattering cross section. Oursymmetry-resolved results for elastic scattering, computed in the fixed-nuclei, static-exchange and static-exchange-plus-polarization approximations, provide locations for the expected π∗ shape resonances and indicate the possible presence of a low-energy σ∗ resonance as well. Electron-impact excitation calculations were carried out for low-lying triplet and singlet excitation channels and yield a very large singlet cross section. We discuss the connection between the resonances found in our elastic cross section and features observed in dissociative attachment.