bluuebunny/crossref_metadata_2025 huggingface dataset:
A “Green Route” to Propene through Selective Hydrogen Oxidation
Authors: Blank Jan Hendrik , Beckers Jurriaan , Collignon Paul F. , Clerc Frédéric , Rothenberg Gadi
Published: April 2007

The pros and cons of oxidative dehydrogenation of propane are outlined and a new catalytic system based on metal‐doped cerianite catalysts is introduced. These novel materials catalyze the selective combustion of hydrogen from a mixture of hydrogen, propane, and propene at 550 °C. This gives three key advantages: energy is supplied directly where needed, product separation is made easier, and the dehydrogenation equilibrium is shifted to the desired products. A set of eighteen doped cerianites was synthesized in parallel, characterized, and screened for activity, selectivity, and stability in a cyclic redox system. The best results were obtained with Ce0.89Cr0.02Fe0.09O2, Ce0.98Sn0.02O2, and Ce0.96Cu0.02Zn0.02O2, which gave 98 %, 91 %, and 98 % selectivity, respectively. Ce0.89Cr0.02Fe0.09O2 also shows excellent stability in over 120 cycles (66 h on stream at 550 °C). Importantly, these doped cerias are monophasic crystalline materials. The dopants are incorporated as solid solutions throughout the fluorite lattice. This means that these catalysts are very stable (they do not sinter during reduction) as opposed to traditional supported metal oxides. The results show that both activity and selectivity towards hydrogen combustion can be tuned (increased or decreased) by selecting the appropriate dopant. Furthermore, the trends in selectivity differ from those measured on supported oxides of the same elements, which indicates that these novel materials indeed contain unique active sites. The factors governing selectivity towards hydrogen oxidation and the nature of the active site are discussed.
Effects of Chain Length and N‐Methylation on a Cation–π Interaction in a β‐Hairpin Peptide
Authors: Hughes Robert M. , Benshoff Matthew L. , Waters Marcey L.
Published: April 2007

The effects of N‐methylation and chain length on a cation–π interaction have been investigated within the context of a β‐hairpin peptide. Significant enhancement of the interaction and structural stabilization of the hairpin have been observed upon Lys methylation. Thermodynamic analysis indicates an increased entropic driving force for folding upon methylation of Lys residues. Comparison of lysine to analogues ornithine (Orn) and diaminobutyric acid (Dab) indicates that lysine provides the strongest cation–π interaction and also provides the most stable β‐hairpin due to a combination of side chain–side chain interactions and β‐sheet propensities. These studies have significance for the recognition of methylated lysine in histone proteins.
Ligand Reprogramming in Dinuclear Helicate Complexes: A Consequence of Allosteric or Electrostatic Effects?
Authors: Jeffery John C. , Rice Craig R. , Harding Lindsay P. , Baylies Christian J. , Riis‐Johannessen Thomas
Published: April 2007

The ditopic ligand 6,6′‐bis(4‐methylthiazol‐2‐yl)‐3,3′‐([18]crown‐6)‐2,2′‐bipyridine (L1) contains both a potentially tetradentate pyridyl‐thiazole (py‐tz) N‐donor chain and an additional “external” crown ether binding site which spans the central 2,2′‐bipyridine unit. In polar solvents (MeCN, MeNO2) this ligand forms complexes with ZnII, CdII, HgII and CuI ions via coordination of the N donors to the metal ion. Reaction with both HgII and CuI ions results in the self‐assembly of dinuclear double‐stranded helicate complexes. The ligands are partitioned by rotation about the central pypy bond, such that each can coordinate to both metals as a bis‐bidentate donor ligand. With ZnII ions a single‐stranded mononuclear species is formed in which one ligand coordinates the metal ion in a planar tetradentate fashion. Reaction with CdII ions gives rise to an equilibrium between both the dinuclear double‐stranded helicate and the mononuclear species. These complexes can further coordinate s‐block metal cations via the remote crown ether O‐donor domains; a consequence of which are some remarkable changes in the binding modes of the N‐donor domains. Reaction of the HgII‐ or CdII‐containing helicate with either Ba2+ or Sr2+ ions effectively reprogrammes the ligand to form only the single‐stranded heterobinuclear complexes [MM′(L1)]4+ (M=HgII, CdII; M′=Ba2+, Sr2+), where the transition and s‐block cations reside in the N‐ and O‐donor sites, respectively. In contrast, the same ions have only a minor structural impact on the ZnII species, which already exists as a single‐stranded mononuclear complex. Similar reactions with the CdII system result in a shift in equilibrium towards the single‐stranded species, the extent of which depends on the size and charge of the s‐block cation in question. Reaction of the dicopper(I) double‐stranded helicate with Ba2+ shows that the dinuclear structure still remains intact but the pitch length is significantly increased.
Equivalent circuits for two‐state quantum systems
Authors: Civalleri Pier Paolo , Gilli Marco , Bonnin Michele
Published: April 2007

The development of nanocircuits designed to ultimately interact with classical electromagnetic environments demands a description of their performance in circuit terms, i.e. in terms of voltages and currents for incident, reflected and transmitted waves. A class of quantum systems which are particularly promising for applications (e.g. in spintronics) and at the same time easy to analyse and to understand physically are the two‐state systems. Here, we present equivalent circuits for a generic two‐state quantum system imbedded in a one‐port or two‐port structure guiding a linearly polarized electromagnetic wave. For the sake of concreteness we explicitly refer to a system of spin ½ particles whose magnetic moments are aligned with the axis of the guiding structure by a strong constant magnetic field; but the formalism can be easily extended to particles endowed with electric dipole moments or any other system with two degrees of freedom. Copyright © 2007 John Wiley & Sons, Ltd.
Detection of molecular particles in live cells via machine learning
Authors: Jiang Shan , Zhou Xiaobo , Kirchhausen Tom , Wong Stephen T. C.
Published: April 2007

Clathrin‐coated pits play an important role in removing proteins and lipids from the plasma membrane and transporting them to the endosomal compartment. It is, however, still unclear whether there exist “hot spots” for the formation of Clathrin‐coated pits or the pits and arrays formed randomly on the plasma membrane. To answer this question, first of all, many hundreds of individual pits need to be detected accurately and separated in live‐cell microscope movies to capture and monitor how pits and vesicles were formed. Because of the noisy background and the low contrast of the live‐cell movies, the existing image analysis methods, such as single threshold, edge detection, and morphological operation, cannot be used. Thus, this paper proposes a machine learning method, which is based on Haar features, to detect the particle's position. Results show that this method can successfully detect most of particles in the image. In order to get the accurate boundaries of these particles, several post‐processing methods are applied and signal‐to‐noise ratio analysis is also performed to rule out the weak spots. © 2007 International Society for Analytical Cytology.
Synthesis and Catalytic Activity of η1‐Allyl and η3‐Allyl, Ethyl, and Hydrido Complexes of Ruthenium–Pentamethyl[60]fullerene
Authors: Matsuo Yutaka , Uematsu Takashi , Nakamura Eiichi
Published: April 2007

η1‐Allyl and η3‐allyl, ethyl, and hydrido ruthenium complexes of pentamethyl[60]fullerene, Ru(η5‐C60Me5)R(CO)2(R = η1‐allyl, Et, H) and Ru(η5‐C60Me5)(η3‐allyl)(CO) were synthesized by the reaction of a chlorido complex Ru(η5‐C60Me5)Cl(CO)2 with an allyl and an ethyl Grignard reagent or lithium aluminum hydride. Conversion of the η1‐allyl complex to the corresponding η3‐allyl complex and the catalytic performance of the hydrido and the chlorido complexes in the isomerization reaction of 1‐decene to internal decenes are described. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)
A Diferrous Single‐Molecule Magnet
Authors: Boudalis Athanassios K. , Sanakis Yiannis , Clemente‐Juan Juan Modesto , Mari Alain , Tuchagues Jean‐Pierre
Published: April 2007

The diferrous complex [Fe2(acpypentO)(NCO)3] (1),(acpypentO– = the anion of 1,5‐bis[2‐pyridyl(1‐ethylimino)]pentane‐3‐ol) was studied by spectroscopic (dual‐mode X‐band EPR and 57Fe‐Mössbauer) and magnetic (AC magnetic susceptibility) techniques. Complex 1 (A. K. Boudalis et al., Inorg. Chem. 2004, 43, 1574) was previously shown to exhibit an intramolecular ferromagnetic coupling with important single‐ion anisotropies with marked differences in the single‐ion electronic parameters of the two iron sites. In this contribution, additional studies are carried out to probe its dynamic magnetic properties. Mössbauer spectra recorded at liquid helium temperatures indicate slow paramagnetic relaxation and a ground state of the system characterized by a non‐Kramers doublet with an Ising‐type anisotropy, a condition which favours single‐molecule magnet (SMM) behaviour. A frequency‐dependent out‐of‐phase signal observed below 3 K in AC susceptibility measurements is in line with such a picture. The out‐of‐phase signal, however, is relatively weak in comparison with the in‐phase signal. Dual mode X‐band EPR spectroscopy revealed characteristic signals, the analysis of which suggests inhomogeneities in the system. For some molecules, the splitting Δ0 of the non‐Kramers ground doublet is vanishingly small, which gives rise to out‐of‐phase signals in AC susceptibility measurements and magnetically split Mössbauer spectra in the absence of external magnetic fields. Other molecules, however, are characterized by a nonnegligible Δ0, which gives rise to the dual mode X‐band EPR signals. For these molecules the magnetic relaxation is fast. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)
Utilization of palm oil and palm products in shortenings and margarines
Authors: Nor Aini Idris , Miskandar Mat Sahri
Published: April 2007

Market trends have shown that manufacturers are switching from hydrogenated fats to trans acid‐free alternatives for food product formulations or preparation. Palm oil and palm products have become important raw materials in the production of solid‐fat formulations such as shortenings and margarines in view of the current trends. Palm oil is very suitable as a major component in margarines and shortenings because it is naturally semi‐solid and it can be further modified by fractionation, interesterification, hydrogenation and blending. It is high in palmitic acid (44%) and crystallizes in the β' form which is desirable in margarines and shortenings. It contains 10% essential fatty acids (linoleic acid). The roles and the applications of palm oil and palm products in various types of shortenings and margarines are discussed.
Use of palm oil for frying in comparison with other high‐stability oils
Authors: Matthäus Bertrand
Published: April 2007

Today, palm oil and its products, mainly palm olein, belong to the most important oils used for the preparation of fried food. The reason is that the oil is relatively cheap, it is available in huge amounts, it has a high oxidative stability and results in high‐quality and tasty foods. Thus, the oil meets the demands of the consumer and the producer of fried food. The suitability of palm oil and its products for frying was widely demonstrated in many investigations, and the paper shows some examples for the comparison of palm oil with other commonly used oils. Nevertheless palm oil and its products have a decisive drawback in comparison to conventional vegetable oils like rapeseed or soybean oil, resulting from the high content of saturated fatty acids, which are unfavourable in view of health aspects. Therefore, the search for healthier oils is going on and, in the meantime, several genetically or conventionally modified vegetable oils have appeared on the market. The paper demonstrates that palm oil and its products have a similar frying performance compared to the new so‐called “high‐oleic” oils.
Palm oil refining
Authors: Gibon Véronique , De Greyt Wim , Kellens Marc
Published: April 2007

Crude palm oil is rich in minor components that impart unique nutritional properties. The most relevant are tocopherols and tocotrienols (vitamin E) and carotenoids (α‐ and β‐carotene). Palm oil is generally refined by the physical process, which is preferred over the chemical process since high acidity (up to 5%) can lead to excessive loss of neutral oil in the soapstock after alkali neutralization. The quality of the crude oil is to be considered as it can greatly affect the efficiency of the refining process and the quality of the end‐products. The deterioration of bleachability index (DOBI) is a good indicator of the capability of palm oil to be successfully refined. Beside commodities, especially refined oils open a market for new high‐quality products like golden palm oil, red palm oil, white soaps, fractionated products (CBE), etc. Optimization of the deodorization technology and of the process conditions for a maximal retention of natural characteristics without affecting the quality of the palm oil is an important challenge.
The complex interplay of palm oil fatty acids on blood lipids
Authors: Hayes Kenneth C. , Khosla Pramod
Published: April 2007

The cholesterol‐raising potential of saturated fats has been noted for 50 years, but how they function and which among the saturated fats are most to blame is only now becoming apparent. The focus has shifted from saturated fats to individual fatty acids and the total composite of fatty acids (SFA, MUFA, PUFA) that comprise our daily fat intake. An adequate intake of both PUFA and SFA may be needed for the ideal LDL/HDL ratio in blood, as both contribute to the regulatory balance in lipoprotein metabolism. Palm oil, by virtue of its fatty acid composition equally balanced between saturated and unsaturated fatty acids, impacts blood lipids in different ways, depending on an individual's lipid profile. Recently, the realization that partially hydrogenated fats (containing trans fatty acids) have adverse health effects has necessitated finding alternative fat sources that provide specific functional characteristics without compromising health. The immediate solution would seem to be blending appropriate natural saturated and polyunsaturated fats to meet the combined requirements for food technology and energy metabolism. In technical situations where a higher‐melting point fat is needed, as in margarines, shortenings, and frying oil, palm oil – or more specifically palm olein – would appear to be the fat of choice for blending with unsaturated oils.
Stereochemistry and Construction of Tetrasubstituted Chiral Carbon Centers in Intramolecular Pd‐Catalyzed 1,3‐Chirality Transfer Reactions
Authors: Kawai Nobuyuki , Lagrange Jean‐Marie , Uenishi Jun'ichi
Published: April 2007

A PdII‐catalyzed cyclization for the construction – from chiral allylic alcohols – of tetrahydropyrans containing tetrasubstituted chiral carbons proceeded stereospecifically by 1,3‐chirality transfer through a syn‐SN2′ type process. The chiral 2,2,6‐trisubstituted tetrahydropyrans 5 and spiro hydropyrans 6 were obtained in high yields under mild reaction conditions.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)
Toward a more complete understanding of the reciprocity of liking effect
Authors: Montoya R. Matthew , Insko Chester A.
Published: April 2007

It is proposed that the reciprocation of interpersonal attraction is a multifaceted process involving affective, cognitive, and behavioral elements, and that reciprocation can be interpreted using interdependence theory. Two studies investigated whether expressed attraction implies benevolent intentions and whether such intentions are differentially critical to reciprocated affective and behavioral attraction. Study 1 (N = 52) demonstrated that (a) an admirer's expressed attraction suggests an admirer's benevolent intentions toward the target, and (b) that benevolent intentions mediate reciprocated affective and behavioral attraction. Study 2 (N = 173) found a difference between affective and behavioral attraction: affective attraction was reciprocated in all cases; but behavioral attraction was not reciprocated when stated behavioral intentions were not consistent with intentions implied by the expressed attraction. Results support an interdependence theory perspective as particularly important for understanding why and what type of reciprocated attraction will occur. Copyright © 2007 John Wiley & Sons, Ltd.
Procedural justice in authority relations: the strength of outcome dependence influences people's reactions to voice
Authors: van Prooijen Jan‐Willem , van den Bos Kees , Wilke Henk A. M.
Published: April 2007

In this article, we study how the strength of outcome dependence, defined as the extent to which people's outcomes depend on authority's decisions, influences their reactions to voice or no‐voice procedures. We suggest that in situations where people are strongly outcome dependent they assume that the authority may not consider their views, and therefore voice procedures exert less influence on people's procedure judgments than in situations where they are not strongly outcome dependent. Findings of two experiments corroborate this line of reasoning: In strongly outcome dependent situations, recipients' procedure judgments are influenced less strongly by voice versus no‐voice procedures than in moderate or weak outcome dependent situations. Furthermore, these effects were found for both pre‐decision voice (Experiment 1) and for post‐decision voice (Experiment 2). It is concluded that strong outcome dependence decreases the value‐expressive function of voice opportunities. Copyright © 2007 John Wiley & Sons, Ltd.
Study on Direct Electrochemistry of Glucose Oxidase Stabilized by Cross‐Linking and Immobilized in Silica Nanoparticle Films
Authors: Liu Hongyun , Hu Naifei
Published: April 2007

Glucose oxidase (GOD) in SiO2 nanoparticle films was cross‐linked by glutaraldehyde (GA), forming GOD‐GA‐SiO2 films on the surface of pyrolytic graphite (PG) electrodes. GOD in the GOD‐GA‐SiO2 films showed a pair of well defined and quasi‐reversible cyclic voltammetric peaks at −0.48 V vs. SCE in pH 7.0 buffers. Scanning electron microscopy of the films demonstrated that the interaction between GOD and GA/SiO2 would make the morphology of dry GOD‐GA‐SiO2 films very different from that of SiO2 and GOD‐SiO2 films. IR spectroscopy confirms that the GODs in the films are indeed cross‐linked through GA, and GA in the films greatly improves the film stability. UV‐vis and IR spectroscopy suggest that the enzyme is not denatured by cross‐linking in the films. The comparative bioelectrocatalytic study with free flavin adenine dinucleotide (FAD) in SiO2 films indicates that GOD in the films retains its biocatalytic activity toward glucose oxidation. All these results show that SiO2 nanoparticle films not only provide a favorable microenvironment for the native GOD to exchange electrons directly with underlying electrodes, but also supply a matrix for stabilizing GOD when combined with GA.
Self‐report versus interview assessment of purging in a community sample of women
Authors: Mond J. M. , Hay P. J. , Rodgers B. , Owen C.
Published: April 2007

Objective and Methods

Agreement between self‐report and interview assessment of purging behaviours was examined in a community sample of women with a high level of eating disorder symptoms (n = 324) who completed both the Eating Disorder Examination (EDE) and Eating Disorder Examination Questionnaire (EDE‐Q).

Results

Of 46 individuals who reported any use of self‐induced vomiting or laxative misuse on the questionnaire, 19 (41.7%) denied these behaviours when subsequently questioned in a face‐to‐face interview. These individuals had lower levels of eating disorder psychopathology, functional impairment and general psychological distress, than participants who reported purging on both the questionnaire and at interview (n = 27).

Conclusions

The assumption of interview superiority in the assessment of specific aspects of eating disorder psychopathology should not be uncritically accepted. Caution should be exercised in drawing conclusions concerning the level of agreement between self‐report and interview assessment of purging based on research in clinical samples. © 2007 John Wiley & Sons, Ltd and Eating Disorders Association.
Adverse relationship processes: the attempts of women with Bulimia Nervosa symptoms to fit the perceived ideal of intimate partners
Authors: Schembri Charlene , Evans Lynette
Published: April 2007

Objective

This study drew together research on anxious attachment, self‐silencing, self‐consciousness during sexual activity and bulimic symptoms.

Method

A mixed community/university sample of 225 women aged 18–63 (M = 30.24, SD = 10.44) and involved in an intimate relationship completed questionnaires.

Results

Adverse relationship processes were significantly associated and each was also associated with bulimic symptoms. Self‐consciousness during sexual activity was the best predictor of bulimic symptoms, followed by anxious attachment. Self‐silencing was redundant when the other relationship processes were included in the regression. General psychopathology mediated the association between self‐silencing and bulimic symptoms, and partially mediated associations between bulimic symptoms and both anxious attachment and self‐consciousness during sexual activity.

Discussion

Women with bulimic symptoms attempt to change themselves by engaging in adverse processes in intimate relationships to meet the perceived expectations of their partners. Targeting these relationship processes in therapy might further add to the success of relationship‐oriented treatments (e.g. Interpersonal Therapy). Copyright © 2007 John Wiley & Sons, Ltd and Eating Disorders Association.
Spatial and temporal diversity for debris‐flow meteorological control in subarctic oceanic periglacial environments in Iceland
Authors: Decaulne Armelle , Sæmundsson Þorsteinn
Published: April 2007

Slopes in fjord environments of Iceland are prone to debris‐flow initiation, responding to a wide variety of meteorological triggering factors, such as rain on snow, rapid snowmelt, long‐lasting rainfall or intense rainfall. If all fjord regions have similar debris flows with regards to their magnitude, their meteorological control is diverse both in space and in time. Debris flows in Northwest Iceland are triggered mostly by rain‐on‐snow and long‐lasting rainfall, while snowmelt is more characteristic in North Iceland, and rainfall has a clear impact in East Iceland. Most debris‐flow events occur on a single slope, and only a few are recorded at the same time in different regions. Observations of the threshold values underline the diversity of debris‐flow initiation, occurring with huge amounts of sudden water supply as well as with very moderate ones. Copyright © 2007 John Wiley & Sons, Ltd.
Surface lowering rates of uplifted limestone terraces estimated from the height of pedestals on a subtropical island of Japan
Authors: Matsukura Yukinori , Maekado Akira , Aoki Hisashi , Kogure Tetsuya , Kitano Yoshihiko
Published: April 2007

In Kikai‐jima, south‐western Japan, many pedestal rocks have developed on the surface of Holocene raised coral‐reef terraces with known dates of emergence. Pedestals are formed just under boulders, which are considered to have been transported by tsunami and settled on a reef flat before emergence. On the assumption that boulders protect the underlying limestone terrace from rainfall solution, the rate of surface lowering of these limestone terraces was evaluated from the height of pedestals and the period of their formation. The result showed that the mean lowering rate over 6000 years is 205 mm/ky. Copyright © 2007 John Wiley & Sons, Ltd.
A universal metric for sequential MIMO detection
Authors: Kuhn Christian , Goertz Norbert
Published: April 2007

Conventionally, detection in multiple‐antenna systems is based on a tree‐search or a lattice‐search with a metric that can be computed by recursively accumulating the corresponding metric increments for a given hypothesis. For that purpose, a multiple‐antenna detector traditionally applies a preprocessing to obtain the search‐metric in a suitable form. In contrast to that, we present a reformulation of the search‐metric that directly allows for an appropriate evaluation of the metric on the underlying structure without the need for a computationally costly preprocessing step. Unlike the traditional approach, the new metric can also be applied when the system has fewer receive than transmit antennas. We present simulation results in which the new metric is applied for turbo detection involving the list‐sequential (LISS) detector that was pioneered by Joachim Hagenauer. Copyright © 2007 John Wiley & Sons, Ltd.
Specific extra chromosomes occur in a modal number dependent pattern in pediatric acute lymphoblastic leukemia
Authors: Heerema Nyla A. , Raimondi Susana C. , Anderson James R. , Biegel Jaclyn , Camitta Bruce M. , Cooley Linda D. , Gaynon Paul S. , Hirsch Betsy , Magenis R. Ellen , McGavran Loris , Patil Shivanand , Pettenati Mark J. , Pullen Jeanette , Rao Kathleen , Roulston Diane , Schneider Nancy R. , Shuster Jonathan J. , Sanger Warren , Sutcliffe Maxine J. , van Tuinen Peter , Watson Michael S. , Carroll Andrew J
Published: April 2007

Children with acute lymphoblastic leukemia (ALL) and high hyperdiploidy (>50 chromosomes) are considered to have a relatively good prognosis. The specific extra chromosomes are not random; extra copies of some chromosomes occur more frequently than those of others. We examined the extra chromosomes present in high hyperdiploid ALL to determine if there were a relation of the specific extra chromosomes and modal number (MN) and if the extra chromosomes present could differentiate high hyperdiploid from near‐triploid and near‐tetraploid cases. Karyotypes of 2,339 children with ALL and high hyperdiploidy at diagnosis showed a distinct nonrandom sequential pattern of gain for each chromosome as MN increased, with four groups of gain: chromosomes 21, X, 14, 6, 18, 4, 17, and 10 at MN 51–54; chromosomes 8, 5, 11, and 12 at MN 57–60; chromosomes 2, 3, 9,16, and 22 at MN 63–67; chromosomes 1, 7 13, 15, 19, and 20 at MN 68–79, and Y only at MN ≥≥80. Chromosomes gained at lower MN were retained as the MN increased. High hyperdiploid pediatric ALL results from a single abnormal mitotic division. Our results suggest that the abnormal mitosis involves specific chromosomes dependent on the number of chromosomes aberrantly distributed, raising provocative questions regarding the mitotic mechanism. The patterns of frequencies of tetrasomy of specific chromosomes differs from that of trisomies with the exception of chromosome 21, which is tetrasomic in a high frequency of cases at all MN. These results are consistent with different origins of high hyperdiploidy, near‐trisomy, and near‐tetrasomy. © 2007 Wiley‐Liss, Inc.
Why don't we detect more fraud?
Authors: Singleton Tommie W. , Singleton Aaron J.
Published: April 2007

With the recent spate of financial scandals, many have asked: Why don't financial auditors detect more fraud? Although the general public doesn't realize it, financial audits are actually not very effective at detecting fraud. We need to do something very different: a fraud audit. © 2007 Wiley Periodicals, Inc.
New guidance on SOX 404
Authors: Weirich Thomas R. , Rouse Robert W.
Published: April 2007

The internal control requirements of the Sarbanes‐Oxley Act (SOX) have been called the most significant change in public company auditing since the advent of the federal securities laws. But do the costs—or companies struggling to meet those requirements—outweigh the benefits of SOX? That's the motivation for important new guidance recently issued. © 2007 Wiley Periodicals, Inc.
Correlated ab initio quantum chemical calculations of di‐ and trisaccharide conformations
Authors: Gould Ian R. , Bettley Hoda Abdel‐Aal , Bryce Richard A.
Published: April 2007

High level correlated quantum chemical calculations, using MP2 and local MP2 theory, have been performed for conformations of the disaccharide, β‐maltose, and the trisaccharide, 3,6‐di‐O‐(α‐D‐mannopyranosyl)‐α‐D‐mannopyranose. For β‐maltose, MP2 and local MP2 calculations using the 6‐311++G** basis set are in good agreement, predicting a global minimum gas‐phase conformation with a counterclockwise hydrogen bond network and the experimentally‐observed intersaccharide hydrogen bonding arrangement. For conformations of 3,6‐di‐O‐(α‐D‐mannopyranosyl)‐α‐D‐mannopyranose, MP2/6‐311++G**, and local MP2/6‐311++G** calculations do not provide a consensus prediction of relative energetics, with the MP2 method finding large differences in stability between extended and folded trisaccharide conformations. Local MP2 calculations, less susceptible to intramolecular basis set superposition errors, predict a narrower range of trisaccharide energetics, in line with estimates from Hartree–Fock theory and B3LYP and BP86 density functionals. All levels of theory predict compact, highly hydrogen‐bonded conformations as lowest in energy on the in vacuo potential energy surface of the trisaccharide. These high level, correlated local MP2/6‐311++G** calculations of di‐ and trisaccharide energetics constitute potential reference data in the development and testing of improved empirical and semiempirical potentials for modeling of carbohydrates in the condensed phase. © 2007 Wiley Periodicals, Inc. J Comput Chem, 2007
Determination of cefquinome in pig plasma and bronchoalveolar lavage fluid by high‐performance liquid chromatography combined with electrospray ionization mass spectrometry
Authors: Maes A. , Meyns T. , Sustronck B. , Maes D. , De Backer P. , Croubels S.
Published: April 2007

The aim of this study was to develop a rapid and sensitive method for the quantification of cefquinome in animal plasma and bronchoalveolar lavage (BAL) fluid using high‐performance liquid chromatography combined with electrospray tandem mass spectrometry (LC‐ESI‐MS/MS). Cefadroxil is used as internal standard. For plasma, the sample preparation includes a simple deproteinization step with a Microcon® filter. This allows detecting the unbound cefquinome concentration, which is correlated with the concentration in other body fluids, such as BAL fluid. To be able to detect the total plasma concentration, deproteinization with acetonitrile, followed by a back‐extraction of actonitrile with dichloromethane was performed. The BAL fluid is centrifuged to precipitate floating particles. Chromatographic separation is achieved on a PLRP‐S column using 0.005% formic acid and methanol as mobile phase. For plasma, good linearity was observed in the range of 5–2500 ng ml−1 for both the unbound and total concentration. The response in BAL fluid was linear in the range of 4–1000 ng ml−1. The limit of quantification (LOQ) was set at 5.00 ng ml−1 for plasma and at 4.00 ng ml−1 for BAL fluid. The limit of detection (LOD) was 3.12 ng ml−1 and 0.41 ng ml−1 for the unbound and total concentration in plasma, respectively, and was 1.43 ng ml−1 for BAL fluid. The method was shown to be of use in a pharmacokinetic study in pigs, where the correlation between cefquinome concentrations in plasma and BAL fluid of pigs was studied. Copyright © 2007 John Wiley & Sons, Ltd.
Organizational career development is not dead: a case study on managing the new career during organizational change
Authors: Lips‐Wiersma Marjolein , Hall Douglas T.
Published: April 2007

New forms of careers have received increased attention in contemporary organizational research. A prominent focus in this research has been whether and how, in an increasingly unpredictable career environment, individuals are taking responsibility for their own career development. The implication is that career is becoming less central to organizational management practices. At the same time there is evidence that organizational changes typically described in this literature (such as delayering the organization in a quest for flexibility) have had a negative impact on career progress, resulting in resistance to change. The implication here is that career concerns are more central to organizational management practices. This in‐depth qualitative case study examines whether individuals do in fact take more responsibility for their career development during times of organizational change. We also examine whether this does indeed mean that the organization takes less responsibility for career management. Our data indicate that individuals are, in fact, taking more responsibility for their own careers. At the same time we found that the organization in our case study also became more actively involved in career development and management. However, this active approach did not resemble traditional top‐down career management and development. To us, the pattern of organizational and individual career development actions appear to constitute a kind of ‘organizational dance,’ a highly interactive mutual influence process, in which both parties are at once the agent and the target of career influence. Strengths and limitations of the study are discussed, as are directions for future research. Copyright © 2007 John Wiley & Sons, Ltd.
Participants' appraisals of process issues and the effects of stress management interventions
Authors: Nielsen Karina , Randall Raymond , Albertsen Karen
Published: April 2007

It has been argued that traditional quasi‐experimental approaches to evaluation do not adequately measure, or take account of, perceptual processes that could contribute to the effectiveness of organizational‐level interventions. Using longitudinal data with added process measures at time 2 gathered from 11 intervention projects in Denmark, this paper used structural equation modelling (n = 462) to explore the impact of employees' direct appraisals of the intervention itself on intervention outcomes. Perceived influence on the content of interventions was directly linked to voluntary participation in these interventions. Participants' appraisals of the activities within an intervention were found to fully mediate the relationships between exposure to interventions and outcome measures (changes in working conditions, behavioural stress and job satisfaction). The results of the study indicate that employees' appraisal of the intervention itself can play an important role in determining the success or failure of a variety of organizational‐level interventions. Copyright © 2007 John Wiley & Sons, Ltd.
An effective high‐speed countercurrent chromatographic method for preparative isolation and purification of mollugin directly from the ethanol extract of the Chinese medicinal plant Rubia cordifolia
Authors: Lu Yanbin , Liu Rui , Sun Cuirong , Pan Yuanjiang
Published: April 2007

The medicinal plant Rubia cordifolia has been used widely in traditional Chinese medicine (TCM) for its antibacterial, antioxidant and anti‐inflammatory activities. In this study, a preparative high‐speed countercurrent chromatography (HSCCC) method for isolation and purification of the bioactive component mollugin directly from the ethanol extract of R. cordifolia was successfully established by using light petroleum (bp 60–90°C)/ethanol/diethyl ether/water as the two‐phase solvent system. The upper phase of light petroleum/ethanol/diethyl ether/water (5:4:3:1 v/v) was used as the stationary phase of HSCCC. Under the optimum conditions, 46 mg of mollugin at 98.5% purity, as determined by HPLC, could be yielded from 500 mg of the crude extract in a single HSCCC separation. The peak fraction of HSCCC was identified by 1H NMR and 13C NMR.
Evaluation and comparison of very high pressure liquid chromatography systems for the separation and validation of pharmaceutical compounds
Authors: Cunliffe Jennifer M. , Adams‐Hall Sharee B. , Maloney Todd D.
Published: April 2007

Chromatography using sub‐2 μm particles is becoming increasingly popular due to the potential for increased speed, resolution, sensitivity, and peak capacity. To meet the demand, various vendors have re‐engineered traditional LC systems to operate at pressures of up to 15 000 psi to accommodate the elevated backpressures associated with using sub‐2 μm particles. This report investigates and compares the performance of three very high pressure LC (VHPLC) systems: Waters Acquity, Agilent 1200 SL, and Thermo Accela. Specifications for the pump, autosampler, column compartment, detector, and software for each instrument are presented. To assess the chromatographic performance of the three instruments, method development and validation were performed for three pharmaceutical compounds and the results are compared and discussed. The material presented herein serves to highlight the different features of the VHPLC instruments, and assess their suitability for the analysis of pharmaceutical compounds.
Comparison of sub‐2‐μm particle columns for fast metabolite ID
Authors: Walles Markus , Gauvin Caroline , Morin Pierre‐Emmanuel , Panetta Rosemarie , Ducharme Julie
Published: April 2007

The use of sub‐2‐μm particle columns for fast high throughput metabolite ID applications was investigated. Three LC‐MS methods based on different sub‐2‐μm particle size columns using the same analytical 3 min gradient were developed (Methods A, B, and C). Method A was comprised of a 1.8 μm particle column coupled to an MS, methods B and C utilized a 1.7 μm particle column (BEH 50×2.1 mm2id) and 1.8 μm particle column coupled to a Q‐TOF MS. The precision and the separation efficiency of the methods was compared with repeated standard injections (N= 10) of reference compounds verapamil (VP), propranolol, and fluoxetine. Separation efficiency and MS/MS spectral quality were also evaluated for separation and detection of VP and its two major metabolites norverapamil (NVP) andO‐demethylverapamil (ODMVP) in human‐liver microsomal incubates. Results show that 1.8 μm particle columns show similar performance for separation of VP and its major metabolites and comparable spectral quality in MSEmode of the Q‐TOF instrument compared to 1.7 μm particle columns. Additionally, the study also confirmed that sub‐2‐μm particle size columns can be operated with standard analytical HPLC but that performance is maximized by integrating column in UPLC method with reduced void volumes. All the methods are suitable for the determination of major metabolites for compounds with high metabolic turnover. The high throughput metabolite profile analysis using 384‐well plate format of up to 48 compounds in incubates of human‐liver microsomes was discussed.
Being responsible: Boards are reexamining the bottom line
Authors: Kakabadse Andrew P.
Published: April 2007

More and more companies, especially in Europe, are shifting their myopic view of the financial bottom line to embrace an approach called corporate social responsibility, which proposes that companies' policies, practices, and decisions should take into account not only financial performance but also the social and environmental consequences of company activities. A recent study examined how boards of directors of companies around the world view CSR, which has gained such prominence that it is now firmly entrenched as a critical item on board agendas.
Physical and Electrochemical Properties of PVdF‐HFP/SiO2‐Based Polymer Electrolytes Prepared Using Dimethyl Acetamide Solvent and Water Non‐Solvent
Authors: Kim Kwang Man , Kim Jin‐Chul , Ryu Kwang Sun
Published: April 2007

Poly[(vinylidene fluoride)‐co‐hexafluoropropylene]/SiO2 polymer electrolytes were prepared by a phase inversion technique using DMAc solvent and water non‐solvent. Cast film electrolytes filled with the same amount of SiO2 using DMAc were also made to compare physical and electrochemical properties. DMAc had a higher solubility to PVdF‐based polymers than NMP, and DMAc produced highly porous structures with bigger cavities and influenced the reduction of crystallinity. Due to the highly porous nature of phase inversion membranes, the uptake of electrolyte solution reached more than 400% and room‐temperature ionic conductivity was more than 10−3 S · cm−1. All of the liquid absorbed, however, did not necessarily contribute to increases in ionic conductivity. This was due to the different conduction modes of lithium cations in a complicated porous structure. Comprehensively optimizing all the properties measured, the phase inversion membrane electrolytes with 10–30 wt.‐% SiO2 were the best candidates for use as the polymer electrolyte of lithium rechargeable batteries.

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Creep Resistant Polymer Nanocomposites Reinforced with Multiwalled Carbon Nanotubes
Authors: Yang Jinglei , Zhang Zhong , Friedrich Klaus , Schlarb Alois K.
Published: April 2007

Poly(propylene) (PP) nanocomposites filled with shorter‐ and longer‐aspect‐ratio multiwalled carbon nanotubes (MWNTs) were compounded using a twin‐screw extruder and an injection moulding machine. It is shown that with only 1 vol.‐% of MWNTs, creep resistance of PP can be significantly improved with reduced creep deformation and creep rate at a long‐term loading period. Additionally, the creep lifetime of the nanocomposites has been considerably extended by 1 000% compared to that of a neat PP. Three possible mechanisms of load transfer were considered that could contribute to the observed enhancement of creep resistance, which are: (1) fairly good interfacial strength between MWNTs and polymer matrix, (2) increasing immobility of amorphous regions due to nanotubes acting as restriction sites, and (3) high aspect ratio of MWNTs. DSC results showing crystallinity changes in the specimens before and after creep deformation present evidence to confirm these mechanisms. Our results should lead to improved grades of creep resistant polymer nanocomposites for engineering applications.

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New Monomers Tailored for Direct Electrografting onto Carbon in Water
Authors: Cécius Michaël , Jérôme Robert , Jérôme Christine
Published: April 2007

Electrografting, which is an electropolymerization technique dedicated to the chemisorption of polyacrylates onto conductive surfaces, was actively studied in anhydrous organic media until now. This communication aims at extending this technique to aqueous media for the grafting of polyacrylates onto carbon. The key criterion for the successful electrografting under these not very demanding experimental conditions (water vs. anhydrous organic solvents) is the use of amphiphilic acrylic monomers. The impact of the chemical structure of these new monomers on the coating properties was investigated. Composition of the coatings was analyzed by FT‐IR ATR and XPS, whereas film thickness and morphology were analyzed by ellipsometry and AFM, respectively.

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Solvent Resistant Honeycomb Films from Photo‐Crosslinkable Polycinnamate
Authors: Karthaus Olaf , Hashimoto Yuichi , Kon Kenichi , Tsuriga Yasuhiro
Published: April 2007

Microporous films consisting of two‐dimensionally ordered void structures ‐ so‐called honeycomb films ‐ were produced by evaporation of polymer solutions under high humidity. Two types of poly(vinyl cinnamate)s were used: A newly synthesized amphiphilic poly(vinyl cinnamate) and a mixture of a commercial poly(vinyl cinnamate) and an amphiphilic polyion complex. Photo‐crosslinking of the honeycomb structure could be achieved by UV irradiation while completely retaining the film morphology. The crosslinked films showed excellent stability against organic solvents.

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Homogenization of elliptic problems with the Dirichlet and Neumann conditions imposed on varying subsets
Authors: Calvo‐Jurado Carmen , Casado‐Díaz Juan , Luna‐Laynez Manuel
Published: April 2007

We study the asymptotic behaviour of the solution un of a linear elliptic equation posed in a fixed domain Ω. The solution un is assumed to satisfy a Dirichlet boundary condition on Γn, where Γn is an arbitrary sequence of subsets of ∂Ω, and a Neumman boundary condition on the remainder of ∂Ω. We obtain a representation of the limit problem which is stable by homogenization and where it appears a generalized Fourier boundary condition. We also prove a corrector result. Copyright © 2007 John Wiley & Sons, Ltd.
Floating ladder track response to a steadily moving load
Authors: Hosking Roger J. , Milinazzo Fausto
Published: April 2007

Floating ladder rail tracks, which can significantly reduce traffic vibration and noise, have already been installed at several railway sites in and around Tokyo. The steel rails are fixed onto successive ladder‐like sections with two parallel longitudinal reinforced concrete sleepers, which are then mounted upon discrete resilient supports on a concrete bed. A simple mathematical model in which a continuous horizontal Bernoulli–Euler beam on periodic discrete elastic supports represents each floating ‘combined rail’ (i.e. rail and longitudinal sleeper), used earlier to discuss the low‐frequency free vibrations in the system, is again adopted to investigate the response due to a steadily moving load. We demonstrate that Fourier transforms can be invoked to obtain the forced deflexion, which depends upon the load speed. A contribution from the periodic supports
determines the steady component of the deflexion moving with the load, and the other contributions from the supports produce oscillations. As is the case for a load moving over a beam or plate with continuous support, the response may be characterized using the free flexural wave dispersion relation—although there is now a countably infinite number of dispersion curves, corresponding to the existence of propagation bands in the periodic structure. The lowest wavenumber local minimum in the phase speed (coincident with the group speed) defines the primary critical load speed of most interest, at which the magnitude of the steady component accompanying the moving load becomes large. This primary critical load speed depends upon the relative elasticity of the discrete supports, which must not be too low if the floating ladder track is to be safe for fast rail systems. Copyright © 2007 John Wiley & Sons, Ltd.
Matrix representations associated with collocation methods for Cauchy singular integral equations
Authors: Junghanns P. , Rost K.
Published: April 2007

We prove representations for the coefficient matrices of the linear systems which occur by applying certain collocation methods to Cauchy singular integral equations. These representations use fast discrete trigonometric transforms and give the possibility to design fast algorithms for solving the respective collocation equations. Copyright © 2007 John Wiley & Sons, Ltd.
Cucurbitane triterpenoids from Momordica charantia
Authors: Li Qing‐Yan , Chen Hu‐Biao , Liu Zhen‐Ming , Wang Bin , Zhao Yu‐Ying
Published: April 2007

Three new cucurbitane‐type triterpenoid saponins, 23‐O‐β‐D‐allopyranosyl‐5β,19‐epoxycucurbita‐6,24‐diene‐3β,22(S),23(S)‐triol‐3‐O‐β‐D‐glucopyranoside (1), 23‐O‐β‐D‐allopyranosyl‐5β,19‐epoxycucurbita‐6,24‐diene‐3β,22(S),23(S)‐triol‐3‐O‐β‐D‐allopyranoside (2), and 23‐O‐β‐D‐allopyranosyl‐5β,19‐epoxycucurbita‐6,24‐diene‐3β,19(R), 22(S),23(S)‐tetraol‐3‐O‐β‐D‐allopyranoside (3), named momordicoside M, N, and O, respectively, along with one known saponin momordicoside L (4), were isolated from the fresh fruits of Momordica charantia. The structures of these saponins were elucidated on the basis of chemical properties and spectral data. Copyright © 2007 John Wiley & Sons, Ltd.