bluuebunny/crossref_metadata_2025 huggingface dataset:
The temperament and character profile of a body dysmorphic disorder outpatient sample
Authors: Mancuso Serafino G. , Knoesen Natalie P. , Chamberlain James A. , Cloninger C. Robert , Castle David J.
Published: May 2009

Background Given the paucity in research investigating personality in body dysmorphic disorder (BDD), this study examined the temperament and character profile of BDD outpatients, and explored the relationship between BDD symptom severity and the temperament and character dimensions.

Method Thirty‐three consecutive BDD outpatients completed the Temperament and Character Inventory (TCI), Dysmorphic Concern Questionnaire (DCQ), Self‐Rating Depression Scale (SDS) and the Social Interactional Anxiety Scale (SAIS). Thirty non‐clinical controls completed the TCI, DCQ and Body Dysmorphic Disorder Questionnaire.

Results Compared with non‐clinical controls, BDD patients reported significantly higher Harm Avoidance (HA) scores (p < 0.001) and significantly lower Self‐Directedness (SD; p < .001) and Cooperativeness (C) scores (p = 0.04). The finding for C, however, may be confounded by age. For the BDD sample, DCQ scores were positively related to HA scores and negatively related to SD scores.

Discussion Results suggest a temperament and character profile for BDD comprising high HA, low SD and possibly low C. High HA and low SD may represent non‐specific risk factors in the development of BDD. Further research with siblings of cases and controls is required to demonstrate the causal role of antecedent personality traits. Additional research with larger samples is also required to investigate the possible confounding effects of delusionality, depression and social anxiety in the relationship between BDD and temperament and character. Copyright © 2009 John Wiley & Sons, Ltd.
Self‐controlled synthesis of hyperbranched poly(ether‐ketone)s from A2 + B3 approach in poly(phosphoric acid)
Authors: Jeon In‐Yup , Tan Loon‐Seng , Baek Jong‐Beom
Published: May 2009

Self‐controlled synthesis of hyperbranched poly(ether‐ketone)s (HPEKs) were prepared from “A2 + B3” approach by using different monomer solubility in reaction medium. 1,3,5‐Triphenoxybenzene as a hydrophobic B3 monomer was reacted with commercially available terephthalic acid or 4,4′‐oxybis(benzoic acid) as a hydrophilic A2 monomer in a hydrophilic reaction medium, polyphosphoric acid (PPA)/phosphorous pentoxide (P2O5). The resultant HPEKs were soluble in various common organic solvents and had the weight‐average molecular weight in the range of 3900–13,400 g/mol. The results implied that HPEKs were branched structures instead of crosslinked polymers. The molecular sizes and shapes of HPEKs were further assured by morphological investigation with scanning electron microscopy (SEM) and atomic force microscopy (AFM). Hence, the applied polymerization condition was indeed strong enough to efficiently facilitate polycondensation via “direct” Friedel‐Crafts reaction without gelation. It could be concluded that the polymer forming reaction was kinetically controlled by automatic and slow feeding of the hydrophobic B3 monomer into the hydrophilic reaction mixture containing hydrophilic comonomer. As a result, hyperbranched structures were formed instead of crosslinked polymers even at full conversion (equifunctional monomer feed ratio). © 2009 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 47: 3326–3336, 2009
Hydroxyl‐ and amine‐terminated hyperbranched polyurethanes using AB2‐type azide monomers: Synthesis, characterization, fluorescence, and charge‐transfer complexation studies
Authors: Sivakumar Chickiyan , Nasar A. Sultan
Published: May 2009

Novel AB2‐type azide monomers such as 3,5‐bis(4‐methylolphenoxy)carbonyl azide (monomer 1), 3,5‐bis(methylol)phenyl carbonyl azide (monomer 2), 4‐(methylol phenoxy) isopthaloyl azide (monomer 3), and 5‐(methylol) isopthaloyl azide (monomer 4) were synthesized. Melt and solution polymerization of these monomers yielded hydroxyl‐ and amine‐terminated hyperbranched polyurethanes with and without flexible ether groups. The structures of theses polymers were established using FT‐IR and NMR spectroscopy. The molecular weights (Mw) of the polymers were found to vary from 3.2 × 103 to 5.5 × 104 g/mol depending on the experimental conditions used. The thermal properties of the polymers were evaluated using TGA and DSC: the polymer obtained from monomer (1) exhibited lowest Tg and highest thermal stability and the polymer obtained from monomer (2) registered the highest Tg and lowest thermal stability. All the polymers displayed fluorescence maxima in the 425–525 nm range with relatively narrow peak widths indicating that they had pure and intense fluorescence. Also, the polymers formed charge transfer (CT) complexes with electron acceptor molecules such as 7,7,8,8‐tetracyano‐quino‐dimethane (TCNQ) and 1,1,2,2‐tetracyanoethane (TCNE) as evidenced by UV‐visible spectra. © 2009 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 47: 3337–3351, 2009
Design, synthesis, and characterization of a partially chlorinated acrylic copolymer for low‐loss and thermally stable graded index plastic optical fibers
Authors: Koike Kotaro , Mikeš František , Okamoto Yoshiyuki , Koike Yasuhiro
Published: May 2009

As a novel material of low loss and high thermal stability, a graded index plastic optical fiber (GI POF) comprised of a copolymer of methyl α‐chloro acrylate (MCA) and 2,2,2‐trichloroethyl methacrylate (TCEMA) was prepared and the thermal, mechanical, and optical characteristics were investigated. Although each homopolymer had low loss and desirable high thermal stability, they had crucial disadvantages for the fiber fabrication process. To draw a MCA polymer (PMCA) fiber, it has to be heated above 270 °C. However, the polymer started to decompose at a lower temperature and produced numerous bubbles. In contrast, TCEMA polymer (PTCEMA) is too brittle to roll up during heat drawing. In this study, we succeeded to improve the strong viscoelasticity and the low decomposition temperature of PMCA and the brittleness of PTCEMA by copolymerizing MCA and TCEMA. In addition, the glass transition temperatures (Tg) of the copolymers were in the range of 133–147 °C and the transmittances of the copolymers were much higher than that of PMMA which has been commonly used as a base material of POF. A suitable GI POF was obtained using the MCA and TCEMA copolymer. © 2009 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 47: 3352–3361, 2009
Photophysical and electrochemical characterization of new poly(arylene vinylene) copolymers containing quinoline or bisquinoline segments
Authors: Mikroyannidis John A. , Fakis Mihalis , Spiliopoulos Ioakim K.
Published: May 2009

Four new fluorescent conjugated vinylene‐copolymers incorporating quinoline or bisquinoline segments along the backbone were synthesized by Heck coupling. Three of them were fluorenevinylene‐copolymers and contained quinoline (PQFV, PQFVT) or bisquinoline segments (PBQFV). One of them (PBQPV) was phenylenevinylene‐copolymer and contained bisquinoline segments. All the copolymers were soluble in common organic solvents and had relatively low glass transition temperature (Tg = 50–56 °C for fluorenevinylenes and Tg < 25 °C for phenylenevinylene). In THF solutions, the quinoline‐containing copolymers showed absorption maxima at 411–420 nm while the bisquinoline‐containing ones exhibited maxima at 357–361 nm. The emission maxima of solutions were 465–490 nm. The copolymers showed high quantum yields up to 64%. The films exhibited absorption and emission maxima in the range of 371–437 nm and 480–521 nm, respectively. All copolymers revealed reversible reduction with electron affinity of 2.66–3.53 eV and irreversible oxidation scans with ionization potential of 5.39–5.53 eV. © 2009 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 47: 3370–3379, 2009
Determination of block size in poly(ethylene oxide)‐b‐polystyrene block copolymers by matrix‐assisted laser desorption/ionization time‐of‐flight mass spectrometry
Authors: Girod Marion , Mazarin Michaël , Phan Trang N. T. , Gigmes Didier , Charles Laurence
Published: May 2009

Characterization of block size in poly(ethylene oxide)‐b‐poly(styrene) (PEO‐b‐PS) block copolymers could be achieved by matrix‐assisted laser desorption/ionization time‐of‐flight mass spectrometry (MALDI‐TOF‐MS) after scission of the macromolecules into their constituent blocks. The performed hydrolytic cleavage was demonstrated to specifically occur on the targeted ester function in the junction group, yielding two homopolymers consisting of the constitutive initial blocks. This approach allows the use of well‐established MALDI protocols for a complete copolymer characterization while circumventing difficulties inherent to amphiphilic macromolecule ionization. Although the labile end‐group in PS homopolymer was modified by the MALDI process, PS block size could be determined from MS data since polymer chains were shown to remain intact during ionization. This methodology has been validated for a PEO‐b‐PS sample series, with two PEO of number average molecular weight (Mn) of 2000 and 5000 g mol−1andMn(PS) ranging from 4000 to 21,000 g mol−1. Weight average molecular weight (Mw), and thus polydispersity index, could also be reached for each segment and were consistent with values obtained by size exclusion chromatography. This approach is particularly valuable in the case of amphiphilic copolymers for whichMnvalues as determined by liquid state nuclear magnetic resonance might be affected by micelle formation. © 2009 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 47: 3380–3390, 2009
One‐pot double click reactions for the preparation of H‐shaped ABCDE‐type quintopolymer
Authors: Gungor Eda , Hizal Gurkan , Tunca Umit
Published: May 2009

We employed for the first time double click reactions: Cu(I) catalyzed azide‐alkyne 1,3‐dipolar cycloaddition and Diels–Alder (4 + 2) reactions for the preparation of H‐shaped polymer possessing pentablocks with different chemical nature (H‐shaped quintopolymer) using one‐pot technique. H‐shaped quintopolymer consists of poly(ethylene glycol) (PEG)‐poly(methylmethacrylate) (PMMA) and poly(ε‐caprolactone) (PCL)‐polystyrene (PS) blocks as side chains and poly (tert‐butylacrylate) (PtBA) as a main chain. For the preparation of H‐shaped quintopolymer, PEG‐b‐PMMA and PCL‐b‐PS copolymers with maleimide and alkyne functional groups at their centers, respectively, were synthesized and simply reacted in one‐pot with PtBA with α‐anthracene‐ω‐azide end functionalities in N,N‐dimethylformamide (DMF) using CuBr/N,N,N′,N″,N″‐pentamethyldiethylenetriamine (PMDETA) as catalyst at 120 °C for 48 h. The precursors and the target H‐shaped quintopolymer were characterized comprehensively by 1H NMR, UV, FTIR, GPC, and triple detection GPC. © 2009 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 47: 3409–3418, 2009
Electrical and self‐heating properties of UHMWPE‐EMMA‐NiCF composite films
Authors: Isaji Setsuko , Bin Yuezhen , Matsuo Masaru
Published: May 2009

Conductive polymer composites (CPC) containing nickel‐coated carbon fiber (NiCF) as filler were prepared using ultra‐high molecular weight polyethylene (UHMWPE) or its mixture with ethylene‐methyl methacrylate (EMMA) as matrix by gelation/crystallization from dilute solution. The electrical conductivity, its temperature dependence, and self‐heating properties of the CPC films were investigated as a function of NiCF content and composition of matrix in details. This article reported the first successful result for getting a good positive temperature coefficient (PTC) effect with 9–10 orders of magnitude of PTC intensity for UHMWPE filled with NiCF fillers where the pure UHMWPE was used as matrix. At the same time, it was found that the drastic increase of resistivity occurred in temperature range of 120–200 °C, especially in the range of 180–200 °C, for the specimens with matrix ratio of UHMWPE and EMMA (UHMWPE/EMMA) of 1/0 and 1/1 (NiCF = 10 vol %). The SEM observation revealed to the difference between the surfaces of NiCF heated at 180 and 200 °C. Researches on the self‐heating properties of the composites indicated a very high heat transfer for this kind of CPCs. For the 1/1 composite film with 10 vol % NiCF, surface temperature (Ts) reached 125 °C within 40 s under direct electric field where the supplied voltage was only 2 V corresponding to the supplied power as 0.9 W. When the supplied voltage was enough high to make Ts beyond the melting point of UHMWPE component, the Ts and its stability of CPC films were greatly influenced by the PTC effect. © 2009 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 47: 1253–1266, 2009
Characterization of multicomponent polymer trilayers with resonant soft X‐ray reflectivity
Authors: Ade H. , Wang C. , Garcia A. , Yan H. , Sohn K. E. , Hexemer A. , Bazan G. C. , Nguyen T.‐Q. , Kramer E. J.
Published: May 2009

Resonant soft X‐ray reflectivity (RSoXR) has been used to quantify the layer thicknesses and the interfacial widths of a single, complex thin film with three polymeric layers supported on an inorganic substrate. By adjusting the photon energy, the sensitivity to particular interfaces within the trilayer can be selectively enhanced. The results significantly improve and broaden the capabilities of RSoXR, which has previously only been demonstrated and used for bilayers on silicon substrates. The capability of RSoXR to characterize polymer trilayers was not readily predictable from prior bilayer results, as the RSoXR characterization of bilayers benefits from a strong X‐ray reflection from the substrate that serves as a reference beam with which the reflections from the other interfaces interfere with. The impact of having the capability to investigate trilayers is exemplified by discussing the utility of RSoXR to characterize organic electronic light emitting multilayers. © 2009 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 47: 1291–1299, 2009
Nonisothermal crystallization behavior of poly(m‐xylene adipamide)/montmorillonite nanocomposites
Authors: Magniez K. , Fox B. L. , Looney M. G.
Published: May 2009

This article reports the nonisothermal crystallization behavior of MXD6 and its clay nanocomposite system (MXD6/MMT) using differential scanning calorimetry (DSC). The DSC experimental data were analyzed by theoretical modeling of the crystallization kinetics using the Avrami, Ozawa, Jeziorny, and the combined Avrami–Ozawa semiempirical models. It has been determined that these models adequately described the crystallization behavior of the MXD6 nanocomposite at cooling rates below 20 °C/min, but there was a deviation from linear dependence at higher cooling rates. This was attributed to changes of both the free energy and the cooling crystallization function K(T) over the entire crystallization process, as well as possible relaxation effects leading to structural rearrangements. In addition, the activation energy determined using the differential isoconversional method of Friedman was also found to vary, indicating changes in both the free energy and crystallization mechanism. Despite the lack of a reliable theoretical model, the heterogeneous nucleating activity of the MMT nanoparticles was demonstrated and quantified using Dobreva's method (ϕ = 0.71), and the crystallization rate for the nanocomposite system was found to be greater than pure MXD6 by up to 79% at 40 °C/min. © 2009 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 47: 1300–1312, 2009
Plasma‐Assisted Atomic Layer Deposition of Al2O3 at Room Temperature
Authors: Kääriäinen Tommi O. , Cameron David C.
Published: May 2009

A new design of plasma source has been used for the plasma‐assisted atomic layer deposition (PA‐ALD) of Al2O3 films at room temperature. In this PA‐ALD reactor the plasma is generated by capacitive coupling directly in the deposition chamber adjacent to the substrate but can be separated from it by a grid to reduce the ion bombardment while maintaining the flow of radicals directly to the substrate surface. During the ALD cycle a mixture of nitrogen and argon was introduced into the reactor to act as a purge gas between precursor pulses and to facilitate the generation of a plasma during the plasma cycle. Sequential exposures of TMA and excited O2 precursors were used to deposit Al2O3 films on Si(100) substrates. A plasma discharge was activated during the oxygen gas pulse to form radicals in the reactor space. The experiments showed that the growth rate of the film increased with increasing plasma power and with increasing O2 pulse length before saturating at higher power and longer O2 pulse length. The growth rate saturated at the level of 1.78 Å·cycle−1. EDS analysis showed that the films were oxygen rich and had carbon as an impurity. This can be explained by the presence of bonds between hydrocarbons from the unreacted TMA precursor and excess oxygen in the film. ATR‐FTIR spectroscopy measurements indicated a change in growth mechanism when the distance between the location of the radical generation and the substrate was varied. A similar effect was observed with the use of different plasma power levels.
Quality of life issues following surgery for vulval cancer: a case report
Authors: Mcclurg Doreen , Hagen Suzanne
Published: May 2009

Background and Purpose. Surgical intervention for vulvar cancer and vulvar intraepithelial neoplasia causes mutilation of the genital area and can impose significant bladder, bowel and sexual dysfunction. This case report outlines how conservative interventions such as pelvic floor muscle training (PFMT) may reduce the long‐term morbidities of such dysfunction. Method. The patient underwent 16 weeks of PFMT in conjunction with advice on fluid intake and bladder training. Results. An increase in pelvic floor muscle strength and endurance were recorded. Improved bladder control as demonstrated by a reduction in frequency of voiding (from 15 to 7 per 24 hours), and number of pads used (from 6 to 3 per 24 hours) was evident. The impact of urinary incontinence on everyday life was much less at the end of the treatment period as measured by the Incontinence Impact Questionnaire with a change in score from 21 (maximum impact) to 10. Conclusions. These positive results indicate that further research is needed to investigate the effect of PFMT on bladder function following such surgery. Copyright © 2009 John Wiley & Sons, Ltd.
Insights into the anthrax lethal factor–substrate interaction and selectivity using docking and molecular dynamics simulations
Authors: Dalkas Georgios A. , Papakyriakou Athanasios , Vlamis‐Gardikas Alexios , Spyroulias Georgios A.
Published: May 2009

The anthrax toxin of the bacterium Bacillus anthracis consists of three distinct proteins, one of which is the anthrax lethal factor (LF). LF is a gluzincin Zn‐dependent, highly specific metalloprotease with a molecular mass of ∼90 kDa that cleaves most isoforms of the family of mitogen‐activated protein kinase kinases (MEKs/MKKs) close to their amino termini, resulting in the inhibition of one or more signaling pathways. Previous studies on the crystal structures of uncomplexed LF and LF complexed with the substrate MEK2 or a MKK‐based synthetic peptide provided structure‐activity correlations and the basis for the rational design of efficient inhibitors. However, in the crystallographic structures, the substrate peptide was not properly oriented in the active site because of the absence of the catalytic zinc atom. In the current study, docking and molecular dynamics calculations were employed to examine the LF‐MEK/MKK interaction along the catalytic channel up to a distance of 20 Å from the zinc atom. This residue‐specific view of the enzyme‐substrate interaction provides valuable information about: (i) the substrate selectivity of LF and its inactivation of MEKs/MKKs (an issue highly important not only to anthrax infection but also to the pathogenesis of cancer), and (ii) the discovery of new, previously unexploited, hot‐spots of the LF catalytic channel that are important in the enzyme/substrate binding and interaction.
Variants of human thymidylate synthase with loop 181–197 stabilized in the inactive conformation
Authors: Lovelace Leslie L. , Johnson Saphronia R. , Gibson Lydia M. , Bell Brittnaie J. , Berger Sondra H. , Lebioda Lukasz
Published: May 2009

Loop 181–197 of human thymidylate synthase (hTS) populates two major conformations, essentially corresponding to the loop flipped by 180°. In one of the conformations, the catalytic Cys195 residue lies distant from the active site making the enzyme inactive. Ligands stabilizing this inactive conformation may function as allosteric inhibitors. To facilitate the search for such inhibitors, we have expressed and characterized several mutants designed to shift the equilibrium toward the inactive conformer. In most cases, the catalytic efficiency of the mutants was only somewhat impaired with values ofkcat/Kmreduced by factors in a 2–12 range. One of the mutants, M190K, is however unique in having the value ofkcat/Kmsmaller by a factor of ∼7500 than the wild type. The crystal structure of this mutant is similar to that of thewthTS with loop 181–197 in the inactive conformation. However, the direct vicinity of the mutation, residues 188–194 of this loop, assumes a different conformation with the positions of Cαshifted up to 7.2 Å. This affects region 116–128, which became ordered in M190K while it is disordered inwt. The conformation of 116–128 is however different than that observed in hTS in the active conformation. The side chain of Lys190 does not form contacts and is in solvent region. The very low activity of M190K as compared to another mutant with a charged residue in this position, M190E, suggests that the protein is trapped in an inactive state that does not equilibrate easily with the active conformer.
Effect of protein structure on deamidation rate in the Fc fragment of an IgG1 monoclonal antibody
Authors: Sinha Sandipan , Zhang Lei , Duan Shaofeng , Williams Todd D. , Vlasak Josef , Ionescu Roxana , Topp Elizabeth M.
Published: May 2009

The effects of secondary structure on asparagine (N) deamidation in a 22 amino acid sequence (369‐GFYPSDIAVEWESNGQPENNYK‐390) of the crystallizable (Fc) fragment of a human monoclonal antibody (Fc IgG1) were investigated using high‐resolution ultra performance liquid chromatography with tandem mass spectrometry (UPLC/MS). Samples containing either the intact Fc IgG (∼50 kD) (“intact protein”), or corresponding synthetic peptides (“peptide”) were stored in Tris buffer at 37°C and pH 7.5 for up to forty days, then subjected to UPLC/MS analysis with high energy MS1 fragmentation. The peptide deamidated only at N382 to form the isoaspartate (isoD382) and aspartate (D382) products in the ratio of ∼4:1, with a half‐life of ∼3.4 days. The succinimide intermediate (Su382) was also detected; deamidation was not observed for the other two sites (N387 and N388) in peptide samples. The intact protein showed a 30‐fold slower overall deamidation half‐life of ∼108 days to produce the isoD382 and D387 products, together with minor amounts of D382. Surprisingly, the D382 and isoD387 products were not detected in intact protein samples and, as in the peptide samples, deamidation was not detected at N388. The results indicate that higher order structure influences both the rate of N‐deamidation and the product distribution.
Detection of early unfolding events in a dimeric protein by amide proton exchange and native electrospray mass spectrometry
Authors: Mobley James A. , Poliakov Anton
Published: May 2009

Oligomeric proteins generally undergo unfolding through a dissociation/denaturation mechanism wherein the subunits first dissociate and then unfold. This mechanism can be detected by the fact that the proteins exhibit a concentration dependence of the denaturation curve. However, the concentration dependence does not answer the question of whether there are thermally induced conformational changes that facilitate subunit dissociation. To fully probe these mechanisms it is desirable to have an analytical approach that is capable of measuring both subunit dissociation and protein denaturation in a highly sensitive manner. In this article, we demonstrate that the combined use of native mass spectrometry to detect subunit mixing, and amide hydrogen/deuterium exchange to detect transient unfolding events can provide a very unique insight into the pre‐melting transitions in a protein oligomer. Both methods keep an isotopic record of each transformation event, without the dependence on equilibrium of the unfolding reaction. Here, we use a combined form of H/D exchange/mass spectrometry and isotopic labeling/native electrospray mass spectrometry to study the pre‐unfolding events of Bacillus subtilis NAD+ synthetase, a symmetrical dimer protein, which plays a vital role in the lifecycle of the bacteria. In the experimental outcome provided, we were able to clearly illustrate that at elevated temperatures, the NAD synthetase dimer undergoes reversible dissociation without monomer unfolding, while at temperatures where monomer unfolding is observed to take place, the rate of dimer dissociation still yet exceeds the rate of unfolding. Information provided by combining these two mass spectrometric methods was found to be very robust, and allowed us to establish an NAD synthetase unfolding model, where primary dissociation occurs prior to the complete unfolding of the NAD+ synthetase.
Prognostic value of modeled PSA clearance on biochemical relapse free survival after radical prostatectomy
Authors: You Benoit , Girard Pascal , Paparel Philippe , Freyer Gilles , Ruffion Alain , Charrié Anne , Hénin Emilie , Tod Michel , Perrin Paul
Published: May 2009

PURPOSES

Using population kinetic approach, we modeled PSA decline equations in patients with prostate cancer after radical prostatectomy (RP). We looked for relationships between early PSA decrease profile, characterized by PSA clearance (CLPSA) or half‐life (HLPSA), and the 2‐year biochemical relapse free survival (bRFS).

PATIENTS AND METHODS

We performed a retrospective study on 55 patients treated with RP and with at least 2 PSA measurements in the post‐operative month. A population kinetic model was investigated with NONMEM®. The prognostic factors regarding bRFS were assessed using univariate and multivariate analyses.

RESULTS

The best model describing the PSA post‐operative decrease was bi‐compartmental and fit patient data well. Median CLPSA was 0.034 (terciles were 0.023 and 0.048). The significant prognostic factors associated with a better bRFS with univariate analysis were lower CLPSA terciles (2‐year bRFS = 100% vs. 85.1% vs. 66.7% if CLPSA < 0.023, 0.023 ≤ CLPSA < 0.048 or CLPSA ≥ 0.0480, P = 0.006) as well as initial PSA < 7 ng/ml, pT2 stage (vs. pT3), pN0 (vs. pN1) and low main Gleason score (3/5 vs. 4/5). Among these factors, CLPSA was the only independent prognostic factor with multivariate analysis regarding bRFS (HR = 0.92, 95%CI = [0.86–0.98], P = 0.0088).

CONCLUSION

CLPSA determined with 4 PSA concentrations in the first month following the RP may predict the biochemical relapse risk of prostate cancer patients, thus enabling early identification of high‐risk patients requiring adjuvant treatment. A prospective validation of these results is required. Prostate 69:1325–1333, 2009. © 2009 Wiley‐Liss, Inc.
The increased expression of periostin during early stages of prostate cancer and advanced stages of cancer stroma
Authors: Tsunoda Toshiyuki , Furusato Bungo , Takashima Yasuo , Ravulapalli Suma , Dobi Albert , Srivastava Shiv , McLeod David G. , Sesterhenn Isabell A. , Ornstein David K. , Shirasawa Senji
Published: May 2009

BACKGROUND

Three‐dimensional culture (3DC) is a relevant in vitro model used to study prostate development and carcinogenesis. Recent studies have indicated that 3DC‐associated genes would be more sensitive as prognostic markers for cancer; however, no 3DC‐associated genes in prostate cancer (CaP) have thus far been elucidated.

METHODS

Candidate 3DC‐associated genes in non‐malignant prostatic epithelial cells, RWPE‐1 and TA2, were selected, based on a comparison of microarray gene expression data between cells grown in two‐dimensional culture (2DC) and in 3DC. To extract CaP‐associated genes among the 3DC‐associated genes, gene expression levels from the microdissected tissue samples were compared between 20 well‐differentiated or 20 poorly differentiated CaP, as well as matched normal prostate epithelium. The expression levels of CaP‐associated genes in 3DC were validated by quantitative RT‐PCR using TA2 cells in 2DC and 3DC. Protein expression of periostin (POSTN), which is one of the 3DC CaP‐associated genes, was further evaluated in the clinical samples by immunohistochemistry.

RESULTS

Several genes including POSTN were identified as CaP‐associated genes using a 3DC system. Immunohistochemical analyses revealed that POSTN expression was increased in the early stages of CaP (Gleason score 6–7), but not in the advanced stages of CaP. Furthermore, the positive ratio observed for the expression of POSTN in tumor‐associated stroma was significantly correlated with the degree of malignancy.

CONCLUSIONS

POSTN, one of the 3DC‐associated genes, may serve as a potential biomarker for predicting the pathological grade and prognosis of CaP. Prostate 69: 1398–1403, 2009. © 2009 Wiley‐Liss, Inc.
Structure, dynamics, and interactions of jacalin. Insights from molecular dynamics simulations examined in conjunction with results of X‐ray studies
Authors: Sharma Alok , Sekar K. , Vijayan M.
Published: May 2009

Molecular dynamics simulations have been carried out on all the jacalin–carbohydrate complexes of known structure, models of unliganded molecules derived from the complexes and also models of relevant complexes where X‐ray structures are not available. Results of the simulations and the available crystal structures involving jacalin permit delineation of the relatively rigid and flexible regions of the molecule and the dynamical variability of the hydrogen bonds involved in stabilizing the structure. Local flexibility appears to be related to solvent accessibility. Hydrogen bonds involving side chains and water bridges involving buried water molecules appear to be important in the stabilization of loop structures. The lectin–carbohydrate interactions observed in crystal structures, the average parameters pertaining to them derived from simulations, energetic contribution of the stacking residue estimated from quantum mechanical calculations, and the scatter of the locations of carbohydrate and carbohydrate‐binding residues are consistent with the known thermodynamic parameters of jacalin–carbohydrate interactions. The simulations, along with X‐ray results, provide a fuller picture of carbohydrate binding by jacalin than provided by crystallographic analysis alone. The simulations confirm that in the unliganded structures water molecules tend to occupy the positions occupied by carbohydrate oxygens in the lectin–carbohydrate complexes. Population distributions in simulations of the free lectin, the ligands, and the complexes indicate a combination of conformational selection and induced fit. Proteins 2009. © 2009 Wiley‐Liss, Inc.
Prediction of global and local quality of CASP8 models by MULTICOM series
Authors: Cheng Jianlin , Wang Zheng , Tegge Allison N. , Eickholt Jesse
Published: May 2009

Evaluating the quality of protein structure models is important for selecting and using models. Here, we describe the MULTICOM series of model quality predictors which contains three predictors tested in the CASP8 experiments. We evaluated these predictors on 120 CASP8 targets. The average correlations between predicted and real GDT‐TS scores of the two semi‐clustering methods (MULTICOM and MULTICOM‐CLUSTER) and the one single‐model ab initio method (MULTICOM‐CMFR) are 0.90, 0.89, and 0.74, respectively; and their average difference (or GDT‐TS loss) between the global GDT‐TS scores of the top‐ranked models and the best models are 0.05, 0.06, and 0.07, respectively. The average correlation between predicted and real local quality scores of the semi‐clustering methods is above 0.64. Our results show that the novel semi‐clustering approach that compares a model with top ranked reference models can improve initial quality scores generated by the ab initio method and a simple meta approach. Proteins 2009. © 2009 Wiley‐Liss, Inc.
Attraction and antennal response of the common wasp, Vespula vulgaris (L.), to selected synthetic chemicals in New Zealand beech forests
Authors: El‐Sayed Ashraf M , Manning Lee‐Anne , Unelius C Rikard , Park Kye Chung , Stringer Lloyd D , White Nicola , Bunn Barry , Twidle Andrew , Suckling David M
Published: May 2009

BACKGROUND: The common wasp, Vespula vulgaris (L.), and the German wasp, Vespula germanica (F.), are significant problems in New Zealand beech forests (Nothofagus spp.), adversely affecting native birds and invertebrate biodiversity. This work was undertaken to develop synthetic attractants for these species to enable more efficient monitoring and management.

RESULTS: Seven known wasp attractants (acetic acid, butyl butyrate, isobutanol, heptyl butyrate, octyl butyrate and 2,4‐hexadienyl butyrate) were field tested, and only heptyl butyrate and octyl butyrate attracted significantly higher numbers of wasps than a non‐baited trap. Accordingly, a series of straight‐chain esters from methyl to decyl butyrate were prepared and field tested for attraction of social wasps. Peak biological activity occurred with hexyl butyrate, heptyl butyrate, octyl butyrate and nonyl butyrate. Polyethylene bags emitting approximately 18.4–22.6 mg day−1 of heptyl butyrate were more attractive than polyethylene bags emitting approximately 14.7–16.8 mg day−1 of heptyl butyrate in the field. Electroantennogram (EAG) studies indicated that queens and workers of V. vulgaris had olfactory receptor neurons responding to various aliphatic butyrates.

CONCLUSION: These results are the first to be reported on the EAG response and the attraction of social wasps to synthetic chemicals in New Zealand beech forests and will enable monitoring of social wasp activity in beech forests. Copyright © 2009 Society of Chemical Industry
Evidence for 2,4‐D mineralisation in Mediterranean soils: impact of moisture content and temperature
Authors: Bouseba Bachir , Zertal Abdennour , Beguet Jérémie , Rouard Nadine , Devers Marion , Martin Christophe , Martin‐Laurent Fabrice
Published: May 2009

BACKGROUND: The 2,4‐D degradation ability of the microbiota of three arable Mediterranean soils was estimated. The impact of soil moisture and temperature on 2,4‐D degradation was investigated.

RESULTS: The microbiota of the three soils regularly exposed to 2,4‐D were able rapidly to mineralise this herbicide. The half‐life of 2,4‐D ranged from 8 to 30 days, and maximum mineralisation of 14C‐2,4‐D ranged from 57 to 71%. Extractable 14C‐2,4‐D and 14C‐bound residues accounted for less than 1 and 15% respectively of the 14C‐2,4‐D initially added. The highest amounts of 14C‐2,4‐D bound residues were recorded in the soil with the lowest 2,4‐D‐mineralising ability. Although all three soils were able to mineralise 2,4‐D, multivariate analysis revealed that performance of this degrading microbial activity was dependent on clay content and magnesium oxide. Soil temperature affected the global structure of soil microbial community, but it had only a moderate effect on 2,4‐D‐mineralising ability. 2,4‐D‐mineralising ability was positively correlated with soil moisture content. Negligible 2,4‐D mineralisation occurred in all three soils when incubated at 10 or 15% soil moisture content, i.e. within the range naturally occurring under the Mediterranean climate of Algeria.

CONCLUSION: This study shows that, although soil microbiota can adapt to rapid mineralisation of 2,4‐D, this microbial activity is strongly dependent on climatic parameters. It suggests that only limited pesticide biodegradation occurs under Mediterranean climate, and that arable Mediterranean soils are therefore fragile and likely to accumulate pesticide residues. Copyright © 2009 Society of Chemical Industry
Cycloate, an inhibitor of fatty acid elongase, modulates the metabolism of very‐long‐side‐chain alkylresorcinols in rye seedlings
Authors: Magnucka Elzbieta G , Suzuki Yoshikatsu , Pietr Stanislaw J , Kozubek Arkadiusz , Zarnowski Robert
Published: May 2009

BACKGROUND: Cycloate inhibits the biosynthesis of very‐long‐chain fatty acids, the essential constituents of plant waxes and suberin. Fatty acids also serve as precursors of aliphatic carbon chains in resorcinolic lipids, which play a fundamental role in the plant defence system against fungal pathogens. In this study, the effect of cycloate on the biosynthesis of 5‐n‐alkylresorcinols in rye seedlings (Secale cereale L.) grown under various light and thermal conditions was examined.

RESULTS: The content of alkylresorcinols biosynthesised in rye was generally increased by the herbicide in both green and etiolated plants. The presence of cycloate also affected patterns of alkylresorcinol homologues in plants grown at 15 and 22 °C; very‐long‐side‐chain compounds were less abundant, whereas both short‐chain saturated and unsaturated homologues were generally accumulated. No cycloate‐related effects caused by homologue pattern modifications were observed at elevated temperature.

CONCLUSION: This study extends present understanding of the mode of action of thiocarbamate herbicides. Cycloate markedly affected the biosynthesis of very‐long‐side‐chain resorcinolic lipids in rye seedlings, confirming the existence of parallels in both fatty acid and alkylresorcinol biosynthetic pathways. The observed cycloate‐driven accumulation of 5‐n‐alkylresorcinols may improve the resistance of cereals to infections caused by microbial pathogens. Copyright © 2009 Society of Chemical Industry
Fertility, mobility and labour‐force participation: a study of synchronicity
Authors: Clark William A. V. , Withers Suzanne Davies
Published: May 2009

Delayed childbearing is common in a workforce that is now dominated by dual‐income households, and survey results report increasing concerns about how to manage family formation and labour‐force participation. In the past, mobility research tended to focus on the mobility event and looked at fertility as a ‘triggering’ event that stimulates mobility and migration. In contrast this research focuses on the fertility event and explores the relationship between fertility events and both mobility and labour‐force outcomes. Using the Panel Study of Income Dynamics, we undertake an analysis of ‘windows’ around fertility events and look for mobility activity, and for a smaller subsample, labour‐force events. Then we also examine ‘windows’ around mobility events to test competing explanations for fertility behaviour and mobility behaviour. The research moves beyond parental status and the links to mobility and labour‐force participation to the actual synchronicity of these behaviours. While it is no surprise that women do drop out of the labour force to have children, many fewer actually leave the labour force than expected and they re‐enter at significantly high rates. The results for mobility are even more mixed, and while there is some evidence of increased mobility with fertility, it is much weaker than suggested by other research. Overall, this research reaffirms an emerging view of mobility and migration behaviour as much more complex than earlier research presented. Copyright © 2009 John Wiley & Sons, Ltd.
Oxygen vacancy induced ferromagnetism in rutile TiO2–x
Authors: Han Guang‐bing , Hu Shu‐jun , Yan Shi‐shen , Mei Liang‐mo
Published: May 2009

First‐principles LDA + U calculations have been performed to study the effects of oxygen vacancies (VO) on the electronic structure and magnetism in undoped rutile TiO2–x . Instead of treated as an adjustive parameter, the value of U was determined by constrained‐density‐functional calculations. The calculated electronic structure reveals that the valence electrons released by VO would occupy mainly the neighboring Ti:3d orbital which then becomes spin‐polarized due to intra‐atomic exchange interaction, thereby giving rise to the half‐metallic ferromagnetism. The magnetization induced by VO in rutile TiO2–x is almost proportional to the VO concentration (x) for x > 0.0625, and becomes 0 for x ≤ 0.0417. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Effects of three different doses of a fruit extract of Terminalia chebula on metabolic components of metabolic syndrome, in a rat model
Authors: Singh Inderjeet , Singh Pawan Kumar , Bhansali Shobhit , Shafiq Nusrat , Malhotra Samir , Pandhi Promila , Pal Singh Amrit
Published: May 2009

There is documented evidence of the use of Terminalia chebula for various ailments in the Ayurvedic literature. The extract has been shown to possess glucose lowering activity and to improve insulin sensitivity in animal models of type 2 diabetes mellitus. The present study was carried out to study the dose response relationship of this extract in a rat model of metabolic syndrome. Six groups of rats were fed a high fructose diet (HFD) for a period of 20 days to induce metabolic syndrome. Three doses of fruit extract of T. chebula 50, 100 and 200 mg/kg were administered orally and pioglitazone 2.7 mg/kg was used as a positive control. Blood samples were collected at days 0, 20 and 40 from the tail vein. Systolic blood pressure (SBP) was measured using the tail cuff method and an oral glucose tolerance test (OGTT) was done on the day of blood collection. Administration of HFD for 20 days significantly increased fasting blood glucose (FBG), SBP and the area under the curve of OGTT. On day 40 the FBG in the 50, 100 and 200 mg/kg group was 97.33 ± 5.82 (NS), 86.83 ± 5.08 (p = 0.038) and 85.67 ± 6.74 (p = 0.15), respectively. These results show that the fruit extract of T. chebula exerts a significant and dose‐dependent glucose lowering effect in the rat model of metabolic syndrome. Copyright © 2009 John Wiley & Sons, Ltd.
Classification of Src Kinase Inhibitors Based on Support Vector Machine
Authors: Zhu Jinxiu , Lu Wencong , Liu Liang , Gu Tianhong , Niu Bing
Published: May 2009

In this work, the support vector machine (SVM), an effective machine learning method, was employed to make a distinction within a class of Src kinase inhibitors. The minimum redundancy maximum relevance (mRMR) feature selection method was used to remove redundant variables, then sequential forward selection (SFS) and sequential backward selection (SBS) methods were used to extract informative features. It had been demonstrated that sequential forward selection (SFS) and sequential backward selection (SBS) methods were useful tools for variable selection. As a special cross‐validation method, leave one out cross validation (LOOCV) method was used to test the generalization and reliability of the model obtained. By using the SVM, the support vector classification (SVC) model was obtained, with a classification accuracy of 94%. And the prediction accuracy of activities of the Src kinase inhibitors is 92.4% in LOOCV method. The results show that SVM method could be employed to SAR modeling with much improved quality and predictability.
Basic inferences of scientific reasoning, argumentation, and discovery
Authors: Lawson Anton E.
Published: May 2009

Helping students better understand how scientists reason and argue to draw scientific conclusions has long been viewed as a critical component of scientific literacy, thus remains a central goal of science instruction. However, differences of opinion persist regarding the nature of scientific reasoning, argumentation, and discovery. Accordingly, the primary goal of this paper is to employ the inferences of abduction, retroduction, deduction, and induction to introduce a pattern of scientific reasoning, argumentation, and discovery that is postulated to be universal, thus can serve as an instructional framework to improve student reasoning and argumentative skills. The paper first analyzes three varied and presumably representative case histories in terms of the four inferences (i.e., Galileo's discovery of Jupiter's moons, Rosemary and Peter Grants' research on Darwin's finches, and Marshall Nirenberg's Nobel Prize–winning research on genetic coding). Each case history reveals a pattern of reasoning and argumentation used during explanation testing that can be summarized in anIf/then/Thereforeform. The paper then summarizes additional cases also exemplary of the form. Implications of the resulting theory are discussed in terms of improving the quality of research and classroom instruction. © 2009 Wiley Periodicals, Inc.Sci Ed94:336–364, 2010
Benefits of global software development: exploring the unexplored
Authors: Ó Conchúir Eoin , Holmström Olsson Helena , Ågerfalk Pär J. , Fitzgerald Brian
Published: May 2009

Organizations are increasingly moving to the global software development (GSD) model because of significant benefits that can accrue. However, GSD is fraught with challenges arising from geographical, temporal and socio‐cultural distances. The emphasis in the literature to date has typically been on how to overcome the challenges associated with GSD. While a number of GSD benefits have been widely referred to in the literature, there are also a number of less obvious benefits that can be inferred as potentially accruing from GSD. In this article, we identify the various benefits of GSD, labeling them as ‘referred’ and ‘inferred’, respectively. We provide a categorization in terms of (a) organizational, (b) team and (c) process/task. While the ‘referred’ benefits most often apply at the organizational level (e.g. cost savings, access to large multi‐skilled workforces, reduced time to market and proximity to customer), the ‘inferred’ benefits apply to a greater extent at team and process/task level (e.g. task modularization, team autonomy, improved documentation and clearly defined processes). In the decision of whether or not to globalize software development activities, a categorization including both ‘referred’ and ‘inferred’ benefits will be helpful in providing a synthesis of all potential benefits associated with GSD. Copyright © 2009 John Wiley & Sons, Ltd.
Tissue‐specific in vivo inhibition of cholinesterases by the organophosphate fenthion in Oreochromis niloticus
Authors: Üner Nevin , Sevgiler Yusuf , Piner Petek
Published: May 2009

This study was designed to elucidate the effect of the organophosphate fenthion exposure on cholinesterase‐specific activities in brain, liver, and kidney tissues of juvenile Oreochromis niloticus, and to define the best indicator tissue to fenthion exposure. The 96‐h LC50 value was determined as 2.27 mg/L and fish were exposed to 20% of this concentration for 24‐, 48‐, and 96‐h. Recovery periods in similar durations were provided to evaluate the ChE activities. AChE and BChE activities were determined spectrophotometrically. The activities of these enzymes were significantly inhibited in all the tissues tested, liver was the most and kidney was the least affected tissues. The inhibition percentages of AChE and BChE were at similar levels in the liver while BChE was more affected in kidney. BChE was not detected in the brain. A significant positive correlation in ChE inhibitions was found among tissues, and the effect of fenthion on ChE activities was tissue specific. In general enzymes activities were not significantly recovered in 96‐h recovery period; however, an elevation in AChE inhibition was observed in brain. Based on the data of this study, the liver may be suggested as the best indicator tissue especially for phosphorothioate exposure. © 2009 Wiley Periodicals, Inc. Environ Toxicol 25: 391–399, 2010.