bluuebunny/crossref_metadata_2025 huggingface dataset:
1,1′‐Binaphthyl‐2‐methylpyridinium‐Based Peroxophosphotungstate Salts: Synthesis, Characterization, and Their Use as Oxidation Catalysts
Authors: Jahier Claire , Felpin François‐Xavier , Méliet Catherine , Agbossou‐Niedercorn Francine , Hierso Jean‐Cyrille , Nlate Sylvain
Published: October 2009

A series of 1,1′‐binaphthyl‐2‐methylammonium and pyridinium salts 6, 7, and 8 was synthesized through the coupling reaction of 2‐(bromomethyl)‐1,1′‐binaphthalene (5) with the dendritic tetraallyl pyridinedicarbinol dendron 2 as well as triethylamine and 4‐tert‐butylpyridine. Tetraallyl pyridinedicarbinol dendron 2 was prepared by allylation of commercially available diethyl pyridine‐3,5‐dicarboxylate (1). The allylation of 2 with allyltrimethylsilane in the presence of boron trifluoride was unsuccessful, as tetraallyl pyridinedicarbinol trifluoroboron adduct 3 was obtained instead of expected hexaallylpyridine compound 4. The catalytic hydrogenation of allyl groups of the ammonium salt of 2, namely, tetraallyl 1,1′‐binaphthyl‐2‐methylpyridinium salt 6, successfully led to the corresponding tetra‐n‐propyl 1,1′‐binaphthyl‐2‐methylpyridinium salt 9. The reaction between salts 7, 8, and 9 and the heteropolyacid H3PW12O40 in the presence of a large excess of hydrogen peroxide afforded the corresponding 1,1′‐binaphthyl‐2‐methylammonium‐based polyoxometalate salts 10, 11, and 12, which contain a catalytically active trianionic [H3PW12O40]3– in the core. These binaphthyl–POM salts are soluble in commonly used organic solvents, and their IR and 31P NMR spectroscopic and elemental analysis data indicate the presence of the POM unit in the frameworks. These POM hybrids are efficient, recoverable, and reusable catalysts in the oxidation of thioanisole, cyclooctene, and cyclohexanol, with H2O2 as the oxidant. A study of the countercation effects indicated that the reaction kinetics and the selectivity are sensitive to the structure of the cation. Two cycles of catalytic reactions were performed without a discernible loss in activity. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
Carboxylato‐Modified New Oxo‐Centred Triruthenium Cluster Compounds with CO and Solvent Ligands: The X‐ray Structure of [Ru3O(C2H5CO2)6(CO)(THF)2]
Authors: Inatomi Atsushi , Abe Masaaki , Hisaeda Yoshio
Published: October 2009

New synthetic precursors for CO‐coordinated, oxo‐centred triruthenium(II,III,III) complexes with varied carboxylato groups [Ru3O(RCO2)6(CO)(solvent)2] where R = C2H5, CH3 and C6H5 have been prepared and characterised. Among the series, the propionato‐bridged complex [Ru3O(C2H5CO2)6(CO)(THF)2] (1) was structurally determined by single‐crystal X‐ray crystallography. Cyclic voltammetry revealed thatthe benzoato‐bridged complex [Ru3O(C6H5CO2)6(CO)(C2H5OH)2] in 0.1 mol dm–3 nBu4NPF6/DMF undergoes two consecutive one‐electron processes assignable to the redox of the Ru3(μ3‐O) core, the redox potentials of which are highly dependent on the electron‐donating/accepting nature of the carboxylato groups. UV‐light excitation of the compounds in CH3CN resulted in the dissociation of CO to form the tris(CH3CN) compounds [Ru3O(RCO2)6(CH3CN)3] (R = C2H5, CH3 and C6H5). These compounds are highly useful as synthetic precursors to a wide range of μ3‐oxo‐triruthenium derivatives with well‐defined redox responses. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
Contiguous multi‐proxy analyses (X‐radiography, diatom, pollen, and microcharcoal) of Holocene archaeological features at Kuk Swamp, Upper Wahgi Valley, Papua New Guinea
Authors: Denham Tim , Sniderman Kale , Saunders Krystyna M. , Winsborough Barbara , Pierret Alain
Published: October 2009

Contiguous multi‐proxy analyses (X‐radiography, diatom, pollen, and microcharcoal) have been conducted on the fills of early, mid‐, and mid‐late Holocene features at Kuk Swamp, Upper Wahgi Valley, Papua New Guinea. The features are associated with key periods of archaeological interest: plant exploitation (ca. 10,000 cal yr B.P.), earliest cultivation (6950–6440 cal yr B.P.), and earliest ditches (ca. 4000 cal yr B.P.). The analyses are designed to clarify uncertainties regarding the reliability and association of different samples within feature fills for the interpretation of human activities on the wetland in the past. Methodologically, these investigations have clarified site formation processes, including pedogenesis within feature fills, which enable a better determination of archaeological associations for different samples within those fills. Substantively, the results provide higher resolution interpretations of paleoenvironments and past human activities on the wetland margin. © 2009 Wiley Periodicals, Inc.
Rockshelter sedimentation in a dynamic tropical landscape: Late Pleistocene–Early Holocene archaeological deposits in Kitulgala Beli‐lena, southwestern Sri Lanka
Authors: Kourampas Nikos , Simpson Ian A. , Perera Nimal , Deraniyagala Siran U. , Wijeyapala W.H.
Published: October 2009

Kitulgala Beli‐lena, a rockshelter in gneiss in humid tropical southwestern Sri Lanka, was inhabited by Late Pleistocene–Early Holocene (>31,000–7880 B.P.) hunter‐gatherers who made geometric microliths and exploited rainforest resources. Micromorphological analysis of a ca. 3‐m‐thick succession of diamictic loams, clays, and breccia with cultural content suggests that relative contribution of episodic colluviation and roof fall, water seepage through joints and diverse human activity varied through time. Facies changes across the profile reflect monsoon weakening ca. 20,000–16,000 cal B.P. and abrupt intensification ca. 15,700 cal B.P., on the wane of the global Last Glacial Maximum (LGM). Post‐depositional modification included clay, sesquioxide, and minor phosphate translocation; termite and other arthropod bioturbation; and clast weathering on the rockshelter floor. Human input (tools and tool‐making refuse, reworked charcoal and associated combustion by‐products) is markedly higher in sediments younger than ca. 15,700 cal B.P., suggesting intensification of site use immediately after the LGM. © 2009 Wiley Periodicals, Inc.
Geomorphological evolution of the River Loukkos estuary around the Phoenician city of Lixus on the Atlantic Littoral of Morocco
Authors: Carmona Pilar , Ruiz José Miguel
Published: October 2009

The ancient city of Lixus, today situated on a hill on the right bank of the River Loukkos, 4km from the coast, was founded on the shore of a brackish lagoon that was sheltered from Atlantic storms. This geographical context provided the city with one of the best Phoenician harbors and abundant fishing resources, and allowed access to the Gharb cattle farming resources and cereal production systems. In this study, the historical evolution of the Loukkos estuarine environment is reconstructed through geomorphological and sedimentological analyses, combined with cartographic, archaeological, and geographical data. The outcomes reveal the progressive infilling of the estuarine lagoon of Lixus and its transformation into the current estuary and floodplain. The recent history of this estuary records four successive stages: (1) an initial stage associated with the maximum Holocene marine transgression (5500 to 5320 cal. yr B.P.) that reached the interior of the estuary; (2) a sheltered brackish tidal lagoon stage in Phoenician and Roman times; (3) a period of progressive infilling of the estuarine lagoon, from late Roman times to the Middle Ages (11th to15th centuries); (4) a period of rapid expansion of intertidal marshes (17th to 19th centuries) that saw the formation of the modern estuarine plain and meandering channel system (20th century). © 2009 Wiley Periodicals, Inc.
Anthropometric measures and epithelial ovarian cancer risk in the European Prospective Investigation into Cancer and Nutrition
Authors: Lahmann Petra H. , Cust Anne E. , Friedenreich Christine M. , Schulz Mandy , Lukanova Annekatrin , Kaaks Rudolf , Lundin Eva , Tjønneland Anne , Halkjær Jytte , Severinsen Marianne Tang , Overvad Kim , Fournier Agnès , Chabbert‐Buffet Nathalie , Clavel‐Chapelon Françoise , Dossus Laure , Pischon Tobias , Boeing Heiner , Trichopoulou Antonia , Lagiou Pagona , Naska Androniki , Palli Domenico , Grioni Sara , Mattiello Amalia , Tumino Rosario , Sacerdote Carlotta , Redondo María‐Luisa , Jakszyn Paula , Sánchez María‐José , Tormo María‐José , Ardanaz Eva , Arriola Larraitz , Manjer Jonas , Jirström Karin , Bueno‐de‐Mesquita H. Bas , May Anne M. , Peeters Petra H.M. , Onland‐Moret N. Charlotte , Bingham Sheila , Khaw Kay‐Tee , Allen Naomi E. , Spencer Elizabeth , Rinaldi Sabina , Slimani Nadia , Chajes Véronique , Michaud Dominique , Norat Teresa , Riboli Elio
Published: October 2009

We examined the associations of measured anthropometric factors, including general and central adiposity and height, with ovarian cancer risk. We also investigated these associations by menopausal status and for specific histological subtypes. Among 226,798 women in the European Prospective Investigation into Cancer and Nutrition (EPIC) cohort, there were 611 incident cases of primary, malignant, epithelial ovarian cancer diagnosed during a mean 8.9 years of follow‐up. Cox proportional hazards models were used to estimate hazard ratios (HRs) and 95% confidence intervals (CIs), adjusted for potential confounders. Compared to women with body mass index (BMI) < 25 kg/m2, obesity (BMI ≥ 30 kg/m2) was associated with excess ovarian cancer risk for all women combined (HR = 1.33, 95% CI = 1.05–1.68; ptrend = 0.02) and postmenopausal women (HR = 1.59, 95% CI = 1.20–2.10; ptrend = 0.001), but the association was weaker for premenopausal women (HR = 1.16, 95% CI = 0.65–2.06; ptrend = 0.65). Neither height or weight gain, nor BMI‐adjusted measures of fat distribution assessed by waist circumference, waist–hip ratio (WHR) or hip circumference were associated with overall risk. WHR was related to increased risk of mucinous tumors (BMI‐adjusted HR per 0.05 unit increment = 1.17, 95% CI = 1.00–1.38). For all women combined, no other significant associations with risk were observed for specific histological subtypes. This large, prospective study provides evidence that obesity is an important modifiable risk factor for epithelial ovarian cancer, particularly among postmenopausal women.
CXCR4 and CXCR7 regulate angiogenesis and CT26.WT tumor growth independent from SDF‐1
Authors: Kollmar Otto , Rupertus Kathrin , Scheuer Claudia , Nickels Ruth M. , Haberl Gudrun C.Y. , Tilton Bettina , Menger Michael D. , Schilling Martin K.
Published: October 2009

Recent studies have shown that the chemokine stromal cell‐derived factor (SDF)‐1 and its receptor CXCR4 are involved in the metastatic process of colorectal cancer. The impact of SDF‐1 on the stimulated metastatic growth during hepatectomy‐associated liver regeneration is unknown. With the use of a heterotopic murine colon cancer model, we analyzed whether blockade of SDF‐1 inhibits angiogenesis and extrahepatic growth of colorectal cancer after liver resection. Functional neutralization of SDF‐1 by 1 mg/kg body weight anti‐SDF‐1 antibody only slightly delayed the initial tumor cell engraftment but also did not reduce the size of established extrahepatic tumors compared with controls. Tumor cell apoptosis was increased by anti‐SDF‐1 treatment only during the early 5–9‐day period of tumor cell engraftment, but was found significantly decreased during the late phase of tumor growth. The initial delay of tumor cell engraftment was associated with an increase of tumor capillary density and microvascular permeability. This was associated with an increased vascular endothelial growth factor (VEGF) expression and an enhanced tumor cell invasion of the neighboring tissue. In contrast to the neutralization of SDF‐1, blockade of the SDF‐1 receptors CXCR4 and CXCR7 significantly reduced tumor capillary density and tumor growth. Thus, our study indicates that neutralization of SDF‐1 after hepatectomy is not capable of inhibiting angiogenesis and growth of extrahepatic colorectal tumors, because it is counteracted by the compensatory actions through an alternative VEGF‐dependent pathway.
Investigation on the individual contributions of NH···OC and CH···OC interactions to the binding energies of β‐sheet models
Authors: Wang Chang‐Sheng , Sun Chang‐Liang
Published: October 2009

In this article, the binding energies of 16 antiparallel and parallel β‐sheet models are estimated using the analytic potential energy function we proposed recently and the results are compared with those obtained from MP2, AMBER99, OPLSAA/L, and CHARMM27 calculations. The comparisons indicate that the analytic potential energy function can produce reasonable binding energies for β‐sheet models. Further comparisons suggest that the binding energy of the β‐sheet models might come mainly from dipole–dipole attractive and repulsive interactions and VDW interactions between the two strands. The dipole–dipole attractive and repulsive interactions are further obtained in this article. The total of NH···HN and CO···OC dipole–dipole repulsive interaction (the secondary electrostatic repulsive interaction) in the small ring of the antiparallel β‐sheet models is estimated to be about 6.0 kcal/mol. The individual NH···OC dipole–dipole attractive interaction is predicted to be −6.2 ± 0.2 kcal/mol in the antiparallel β‐sheet models and −5.2 ± 0.6 kcal/mol in the parallel β‐sheet models. The individual CαH···OC attractive interaction is −1.2 ± 0.2 kcal/mol in the antiparallel β‐sheet models and −1.5 ± 0.2 kcal/mol in the parallel β‐sheet models. These values are important in understanding the interactions at protein–protein interfaces and developing a more accurate force field for peptides and proteins. © 2009 Wiley Periodicals, Inc. J Comput Chem 2010
Blind docking method combining search of low‐resolution binding sites with ligand pose refinement by molecular dynamics‐based global optimization
Authors: Vorobjev Yury N.
Published: October 2009

This study describes the development of a new blind hierarchical docking method, bhDock, its implementation, and accuracy assessment. The bhDock method uses two‐step algorithm. First, a comprehensive set of low‐resolution binding sites is determined by analyzing entire protein surface and ranked by a simple score function. Second, ligand position is determined via a molecular dynamics‐based method of global optimization starting from a small set of high ranked low‐resolution binding sites. The refinement of the ligand binding pose starts from uniformly distributed multiple initial ligand orientations and uses simulated annealing molecular dynamics coupled with guided force‐field deformation of protein–ligand interactions to find the global minimum. Assessment of the bhDock method on the set of 37 protein–ligand complexes has shown the success rate of predictions of 78%, which is better than the rate reported for the most cited docking methods, such as AutoDock, DOCK, GOLD, and FlexX, on the same set of complexes. © 2009 Wiley Periodicals, Inc. J Comput Chem 2010
Disturbing interference patterns in femtosecond stimulated Raman microscopy
Authors: Ploetz E. , Marx B. , Gilch P.
Published: October 2009

Femtosecond stimulated Raman microscopy (FSRM) is an upcoming technique in nonlinear microscopy which facilitates rapid chemical mapping. It employs femtosecond white‐light pulses as probe pulses and intense picosecond pulses as pump pulses. Stimulated Raman scattering (SRS) occurs at the focus of a scanning microscope. Chemical constituents in the sample are identified via their Raman signatures. In this article, disturbing interference patterns in FSRM are reported. They are caused by a broadening of the pump pulse due to nonlinear interactions in the focal region of the microscope and reduce the signal‐to‐noise ratio. The properties of these modulations are explored, and the methods to suppress them are presented. Copyright © 2009 John Wiley & Sons, Ltd.
Aneurysmal bone cyst: The role of cryosurgery as local adjuvant treatment
Authors: Peeters S.P. , Van der Geest I.C.M. , de Rooy J.W.J. , Veth R.P.H. , Schreuder H.W.B.
Published: October 2009

Background

Aneurysmal bone cysts (ABCs) are most often treated with intralesional surgery (curettage) and additional bone grafting. There is debate on whether or not to use adjuvant therapy to decrease the local recurrence rate. This study is done to assess the outcome of curettage and cryosurgery as a treatment of ABC.

Methods

We analyzed 80 consecutive cases of ABC treated with curettage and cryosurgery. Patients were followed minimal 24 months after surgery (average 55 months, range 24–122 months) with physical examination and radiographs. Functional outcome was evaluated using the musculoskeletal tumor society score (MSTS).

Results

The 80 patients were all treated with curettage and cryosurgery. Additional bone grafting was used in 73 patients, osteosynthesis in 12 and spondylodesis in 1 patient. Four local recurrences were found in this study, a recurrence rate of 5%. All local recurrences were treated successfully with curettage and cryosurgery again 7–33 months after the initial surgery. Postoperative one fracture, one wound infection, and three transient nerve palsy occurred. The average MSTS score was 29.2 at follow‐up.

Conclusions

The use of cryosurgery as adjuvant therapy results in a lower local recurrence rate when compared to other publications for the treatment of ABC and excellent functional results. J. Surg. Oncol. 2009;100:719–724. © 2009 Wiley‐Liss, Inc.
AM‐111 prevents hearing loss from semicircular canal injury in otitis media
Authors: Grindal Tyler C. , Sampson Edith M. , Antonelli Patrick J.
Published: October 2009

Objectives/Hypothesis:

Iatrogenic semicircular canal (SC) transection during mastoidectomy for chronic otitis media often leads to profound hearing loss. AM‐111, an apoptosis inhibitor, has been shown to mitigate hearing loss resulting from a variety of inner ear injuries. The goal of this study was to determine if round window application of AM‐111 following SC transection in the presence of Pseudomonas aeruginosa otitis media (PA‐OM) may reduce the associated hearing loss.

Study Design:

Prospective, randomized, controlled study in an animal model.

Methods:

PA‐OM was induced bilaterally in 34 guinea pigs. After 3 days, both bullae were opened and the lateral SC of one ear was transected. AM‐111 or vehicle was applied topically to the round window of the ear that had undergone SC transection. Hearing was assessed with auditory brainstem responses.

Results:

The mean change in hearing thresholds was significantly less in transected ears treated with AM‐111 than those receiving vehicle alone when testing with clicks (22.1 dB vs. 35.0 dB; P = .019) and at 4kHz (11.3 dB vs. 40.0 dB; P = .021). A similar trend was shown with 16 kHz tone pips (27.7 dB vs. 41.1 dB; P = .119).

Conclusions:

AM‐111 prevents hearing loss from SC transection in the guinea pig model of PA‐OM. Laryngoscope, 2010
A Facile Approach to Modify Polyurethane Surfaces for Biomaterial Applications
Authors: Wu Zhaoqiang , Chen Hong , Huang He , Zhao Tieliang , Liu Xiaoli , Li Dan , Yu Qian
Published: October 2009

In this communication, we introduce a facile and highly efficient approach for surface modification of polyurethane (PU). Double bonds were incorporated onto the PU surface using a unique monomer, methacryloyl isothiocyanate (MI). Several monomers, such as N‐isopropyl acrylamide (NIPAAm) and 2‐hydroxyethyl methacrylate (HEMA), were used to prove that the polymerization process can be carried out on a vinyl‐functionalized surface. The protein‐adsorption property of the grafted surfaces shows that protein adsorption was significantly reduced after grafting each polymer onto the PU surface. Moreover, this method can be applied to polyurethane materials with any shape, including tubes and scaffolds, for which plasma treatment and photoinitiation at the inner surface are difficult to perform.

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Polymerization of ortho‐Substituted Phenylacetylenes with Well‐Defined Ruthenium‐Alkylidene Catalysts and Related Metathesis Initiators
Authors: Katsumata Toru , Shiotsuki Masashi , Sanda Fumio , Sauvage Xavier , Delaude Lionel , Masuda Toshio
Published: October 2009

The polymerization of (2‐isopropoxyphenyl)acetylene was investigated using a wide range of well‐defined ruthenium‐alkylidene complexes and related olefin metathesis initiators. In view of its superior activity, the second generation Hoveyda–Grubbs catalyst was singled out for further studies. Only phenylacetylenes ortho‐substituted with alkoxy, ester, fluoro, and silyl groups afforded polymers with moderate molecular weights. They were characterized by various analytical techniques, and their properties were compared with those of samples prepared using Rh and W initiators. The Ru‐based polymers possessed high trans contents and took a helical conformation with predominantly one‐handed screw sense when chiral side‐chains were present.

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Effect of Different Bicomponent Electrospinning Techniques on the Formation of Polymeric Nanosprings
Authors: Chen Shuiliang , Hou Haoqing , Hu Ping , Wendorff Joachim H. , Greiner Andreas , Agarwal Seema
Published: October 2009

The effect of different bicomponent electrospinning techniques i.e., off‐centered coaxial electrospinning and side‐by‐side electrospinning, on the formation of tight nanocoils (nanosprings) was studied. Since right balance between the longitudinal compressive forces arising from the shrinking thermoelastic components and the rigidity emerging from the stiff component and conductivity is required for nanospring formation, conductive solutions of flexible and rigid components were used for the electrospinning. Under optimum conditions, nanofiber mats with almost 100% nanospring morphology were generated using off‐centered and side‐by‐side electrospinning techniques. Mechanical properties of aligned nanomats with and without nanosprings, produced at different collecting speeds are provided.

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Consideration of Macromonomer Reactions in n‐Butyl Acrylate Free Radical Polymerization
Authors: Wang Wei , Nikitin Anatoly N. , Hutchinson Robin A.
Published: October 2009

n‐Butyl acrylate (BA) starved‐feed solution semibatch experiments with varying final polymer content and monomer feed times were carried out at 138 °C. A full mechanistic model of the system implemented in Predici includes intermolecular chain transfer to polymer and macromonomer propagation as well as backbiting, chain scission, and midchain radical propagation and termination. The importance of macromonomer propagation under these conditions of industrial interest is illustrated by experiment and simulation, with the macromonomer reaction responsible for the significant increase in polymer weight‐average molecular weight () with time. Rate coefficients for macromonomer propagation (kmac) and β‐scission (kβ) of kmac/kp = 0.55 and kβ = 12 s−1 (with kp the rate coefficient for BA chain‐end propagation) provide a good representation of experimental and macromonomer end group data at 138 °C.

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Solid‐state NMR spectroscopy of Pb‐rich apatite
Authors: Mason Harris E. , Hirner Joshua J. , Xu Wenqian , Parise John B. , Phillips Brian L.
Published: October 2009

Pb‐containing hydroxylapatite phases synthesized under aqueous conditions were investigated by X‐ray diffraction and solid‐state nuclear magnetic resonance (NMR) techniques to determine the Pb, Ca distribution. 31P and 1H magic‐angle spinning (MAS) NMR results indicate slight shifts of the isotropic chemical shift with increased Ca content and complex lineshapes at compositions with near equal amounts of Ca and Pb. 31P{207Pb} and 1H{207Pb} rotational‐echo double resonance (REDOR) results for intermediate compositions show that resolved spectral features cannot be assigned simply in terms of local Ca, Pb configurations or coexisting phases. 207Pb MAS NMR spectra are easily obtained for these materials and contain well‐resolved resonances for crystallographically unique A1 and A2 Pb sites. Splitting of the A1 and A2 207Pb resonances for pure hydroxyl‐pyromorphite (Pb10(PO4)6(OH)2) compared to natural pyromorphite (Pb5(PO4)3Cl) suggests symmetry reduced from hexagonal. We find that 207Pb{1H} CP/MAS NMR is impractical in Pb‐rich hydroxylapatites due to fast 207Pb relaxation. Copyright © 2009 John Wiley & Sons, Ltd.
The signal/noise of an HMBC spectrum can depend dramatically upon the choice of acquisition and processing parameters
Authors: Burrow Timothy E. , Enriquez Raul G. , Reynolds William F.
Published: October 2009

The effect of various acquisition and processing parameters on the sensitivity of HMBC spectra for typical organic molecules has been systematically investigated. For molecules in the 200–600 molecular weight range, an acquisition time of 0.2 to 0.4 s, a recycle time of no more than 1.0 s, optimization for nJCH = 8 Hz and 512 time increments (with two‐ to fourfold linear prediction) are recommended. Some form of sine bell weighting along f2 and either Gaussian or sine bell weighting along f1 is suggested. The use of a 0.1‐s acquisition time and/or Gaussian or exponential weighting along f2 can result in dramatic sensitivity loss, particularly for correlation peaks involving protons with complex splitting patterns, and should be avoided. Copyright © 2009 John Wiley & Sons, Ltd.
rNMR: open source software for identifying and quantifying metabolites in NMR spectra
Authors: Lewis Ian A. , Schommer Seth C. , Markley John L.
Published: October 2009

Despite the extensive use of nuclear magnetic resonance (NMR) for metabolomics, no publicly available tools have been designed for identifying and quantifying metabolites across multiple spectra. We introduce here a new open source software tool, rNMR, which provides a simple graphics‐based method for visualizing, identifying, and quantifying metabolites across multiple one‐ or two‐dimensional NMR spectra. rNMR differs from existing software tools for NMR spectroscopy in that analyses are based on regions of interest (ROIs) rather than peak lists. ROIs contain all of the underlying NMR data within user‐defined chemical shift ranges. ROIs can be inspected visually, and they support robust quantification of NMR signals. ROI‐based analyses support simultaneous views of metabolite signals from up to hundreds of spectra, and ROI boundaries can be adjusted dynamically to ensure that signals corresponding to assigned atoms are analyzed consistently throughout the dataset. We describe how rNMR greatly reduces the time required for robust bioanalytical analysis of complex NMR data. An rNMR analysis yields a compact and transparent way of archiving the results from a metabolomics study so that it can be examined and evaluated by others. The rNMR website at http://rnmr.nmrfam.wisc.edu offers downloadable versions of rNMR for Windows, Macintosh, and Linux platforms along with extensive help documentation, instructional videos, and sample data. Copyright © 2009 John Wiley & Sons, Ltd.
Continuous Distribution Kinetics for Photopolymerization of Alkyl Methacrylates
Authors: Vinu Ravikrishnan , Madras Giridhar
Published: October 2009

The photopolymerization of methyl, ethyl, butyl, and hexyl methacrylates in solution was studied. The effect of initial initiator and monomer concentrations on the time evolution of polymer concentration, , and PDI was examined. The reversible chain addition and β‐scission, and primary radical termination steps were included in the mechanism along with the classical steps. The rate equations were derived using continuous distribution kinetics and solved numerically to fit the experimental data. The regressed rate coefficients compared well with the literature data. The model predicted the instantaneous increase in and PDI to steady state values. The rate coefficients exhibited a linear increase with the size of alkyl chain of the alkyl methacrylates.

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Relative Rates of Branching in Emulsion and Miniemulsion Polymerization
Authors: Schork F. Joseph , Lu Fujun
Published: October 2009

This communication describes the potential advantages of using a miniemulsion rather than an emulsion process for the polymerization of synthetic rubbers in which the polymerization is ended (short‐stopped) considerably before full conversion in order to limit excessive branching brought on by a high polymer‐to‐monomer ratio in the polymer particles. Because the polymer‐to‐monomer ratio in the particle at low monomer conversion is much lower in a miniemulsion, a miniemulsion can be polymerized to a significantly higher conversion than a conventional emulsion while maintaining an equivalent degree of branching. Short‐stopping at a higher monomer conversion will result in substantially reduced processing costs associated with recovery and recycle of unpolymerized monomer.
Design and Implementation of a Reactor Setup for Combinatorial Anionic Synthesis of Block Copolymer Series with Well‐Defined Compositions
Authors: Pettau Robin , Erdelen Christian , Schmidt Hans‐Werner
Published: October 2009

We present a combinatorial approach to the synthesis of block copolymer series by anionic polymerization, utilizing a specially designed reactor setup. The setup features one main reactor and three secondary reactors to carry out anionic polymerizations on laboratory‐scale quantities at low temperatures. The implementation was demonstrated with three series of AB‐ and ABC‐block copolymers with identical A‐ and AB‐blocks, respectively. The B‐block in AB‐diblock copolymers and the C‐block in ABC‐triblock copolymers can be varied with respect to block length or chemical constitution. Well‐defined series of block copolymers are useful for advanced optimization of functional block copolymers in nanotechnology applications.

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Prognostic relevance of DNA copy number changes in colorectal cancer
Authors: Poulogiannis George , Ichimura Koichi , Hamoudi Rifat A , Luo Feijun , Leung Suet Y , Yuen Siu T , Harrison David J , Wyllie Andrew H , Arends Mark J
Published: October 2009

In a study of 109 colorectal cancers, DNA copy number aberrations were identified by comparative genomic hybridization using a DNA microarray covering the entire genome at an average interval of less than 1 Mbase. Four patterns were revealed by unsupervised clustering analysis, one of them associated with significantly better prognosis than the others. This group contained tumours with short, dispersed, and relatively few regions of copy number gain or loss. The good prognosis of this group was not attributable to the presence of tumours showing microsatellite instability (MSI‐H). Supervised methods were employed to determine those genomic regions where copy number alterations correlate significantly with multiple indices of aggressive growth (lymphatic spread, recurrence, and early death). Multivariate analysis identified DNA copy number loss at 18q12.2, harbouring a single gene, BRUNOL4 that encodes the Bruno‐like 4 splicing factor, as an independent prognostic indicator. The data show that the different patterns of DNA copy number alterations in primary tumours reveal prognostic information and can aid identification of novel prognosis‐associated genes. Copyright © 2009 Pathological Society of Great Britain and Ireland. Published by John Wiley & Sons, Ltd.
A comparative study on camphorsulphonic acid modified montmorillonite clay based conducting polymer nanocomposites
Authors: Riaz Ufana , Ahmad Syed Aziz , Ahmad Sharif , Ashraf Syed M.
Published: October 2009

Nanotechnology has emerged as a subject of immense academic interest and excitement in the past few decades. The immediate goal of this science aims at the production of high performance nanomaterials. The present study reports comparative investigations on the in situ polymerization of polyaniline (PANI), and its derivatives poly(1‐naphthylamine) (PNA) and poly(o‐toluidine) (POT) within the camphor sulphonic acid (CSA) modified montmorillonite (MMT) layers. The polymerization as well as intercalation of the conducting polymers was confirmed by FT‐IR, UV‐visible spectroscopies, and XRD studies, whereas the morphology of the nanocomposites was analyzed by TEM studies. It was found that the PANI derivatives (PNA and POT) revealed higher intercalation as compared with PANI. The morphology of nanocomposites was found to be governed by the type of conducting polymer intercalated. A large variation in the morphology as well as particle size was observed between the nanocomposites of PANI and its derivatives. The conductivity was found to be in the range of 10−3–10−2 S·cm−1. POLYM. COMPOS., 2010. © 2009 Society of Plastics Engineers
Natural history of apparently isolated severe fetal ventriculomegaly: perinatal survival and neurodevelopmental outcome
Authors: Kennelly M. M. , Cooley S. M. , McParland P. J.
Published: October 2009

Objective

To review the prenatal diagnosis of apparently isolated severe ventriculomegaly (SVM) in a tertiary referral fetal medicine unit and report on perinatal and neurodevelopmental outcomes.

Methods

All cases of isolated SVM referred to Fetal Medicine at the NMH between 2000 and 2008 were identified. Outcome information was obtained from detailed telephone interviews with parents and paediatric records and histopathology in cases of stillborn fetuses.

Results

Thirty‐six cases of SVM were referred, out of which 19 were diagnosed with ‘apparently’ isolated SVM. Macrocrania was present in 88% at 36 weeks (mean HC 439 mm). Cephalocentesis was performed in six cases with poor prognosis. All resulted in perinatal loss. The neurodevelopmental outcome of survivors with isolated SVM (ten live‐born survivors) showed major neurological morbidity in 50% (5/10) of the cases, mild morbidity in 40% (4/10) and a normal outcome in only one case.

Conclusion

Isolated SVM had a very poor perinatal outcome with neurological and physical disability in the overwhelming majority. Only one case of the 17 (6%) diagnosed initially with ‘apparently’ isolated SVM was born alive without handicap. Information from our series may aid couples in decision making about pregnancy interruption and the difficult decision of prenatal or intrapartum cephalocentesis. Copyright © 2009 John Wiley & Sons, Ltd.
Theoretical Evaluation and Experimental Validation of Performance Parameters of New Hypergolic Liquid Fuel Blends with Red Fuming Nitric Acid as Oxidizer
Authors: Kulkarni Suresh G. , Bagalkote Vrushali S. , Patil Sharawati S. , Kumar U. Pramodh , Kumar V. Anil
Published: October 2009

A number of fuel blends based on 3‐carene, norbornadiene, furfuryl alcohol, ethylidene norbornene, and kerosene in different weight proportions have been developed as rocket fuels which exhibit synergistic hypergolic ignition with red fuming nitric acid (RFNA) as oxidizer with low ignition delays (IDs<40 ms). The optimum compositions of fuel blends were determined by measuring ID values of different blends at optimum O/F ratios. Eight selected fuel blends and one neat fuel (ethylidene norbornene) were theoretically evaluated for their performance parameters using NASA‐CEC‐71 software with RFNA as oxidizer at different O/F ratios and at chamber pressure of Pc, 2451.66 and 4903.33 (or 5197.52) kPa, keeping the exit pressure constant at 98.07 kPa. For experimental validation of performance parameters, static firing trials of these fuel blends with RFNA were carried out using 735.5 N thruster at 2451.66 kPa chamber pressure using doublet or triplet impinging stream type of injector. The experimental C* values were compared with theoretically determined C* values to predict combustion efficiencies which were found to be more than 95% in all the cases.
RNA Polymerase II Associated Factor 1/PD2 Maintains Self-Renewal by Its Interaction with Oct3/4 in Mouse Embryonic Stem Cells
Authors: Ponnusamy Moorthy P. , Deb Shonali , Dey Parama , Chakraborty Subhankar , Rachagani Satyanarayana , Senapati Shantibhusan , Batra Surinder K.
Published: October 2009

Embryonic stem cells (ESCs) maintain self-renewal while ensuring a rapid response to differentiation signals, but the exact mechanism of this process remains unknown. PD2 is the human homolog of the RNA polymerase II-associated factor 1 (Paf1). The Paf1/PD2 is a member of the human PAF complex that consists of four other subunits, hCdc73, hLeo1, hCtr9, and hSki8, and is involved in the regulation of transcriptional elongation and further downstream events. Here, we show that Paf1/PD2 is overexpressed in mouse ESCs and is involved in the maintenance of mouse ESCs. The Paf1/PD2 knockdown and knockout ESCs grown under self-renewal conditions express substantially reduced levels of self-renewal regulators, including Oct3/4, SOX2, Nanog, and Shh. We observed that the level of Paf1/PD2 expression is much higher in self-renewing mouse embryonic carcinoma cells than in the differentiating cells. Knockout of Paf1/PD2 altered ESC phenotype by increasing apoptosis and decreasing the percentage of cells in S-phase of the cell cycle. Interestingly, we found that the key genes that regulate endodermal differentiation (Gata4, Gata6, and Fgf8) are induced in the Paf1/PD2 heterozygous knockout ESCs. This suggests that Paf1/PD2 plays a specific role in regulating early commitment of ESCs to endodermal differentiation. Furthermore, for the first time, we showed that Paf1/PD2 protein interacts with Oct3/4 and RNA polymerase II, and through this interaction Paf1/PD2 may regulate Oct3/4-mediated gene expression. Thus, the Paf1/PD2 protein is a newly discovered element of the interconnected regulatory network that maintains the self-renewal of mouse ESCs.

Disclosure of potential conflicts of interest is found at the end of this article.
Adult presentations of medium‐chain acyl‐CoA dehydrogenase deficiency (MCADD)
Authors: Lang T. F.
Published: October 2009

Medium‐chain acyl‐CoA dehydrogenase deficiency (MCADD) is an autosomal recessive disorder of mitochondrial fatty acid oxidation which is usually diagnosed in infancy or through neonatal screening. In the absence of population screening, adults with undiagnosed MCADD can be expected. This review discusses 14 cases that were identified during adulthood. The mortality of infantile patients is approximately 25% whereas in this adult case series it was shown it to be 50% in acutely presenting patients and 29% in total. Therefore, undiagnosed individuals are at risk of sudden fatal metabolic decompensation with high mortality. This review illustrates the need to consider the possibility of a fatty acid oxidation defect in an adult who presents with unexplained sudden clinical deterioration, particularly if precipitated by fasting or alcohol consumption. A history of unexplained sibling death may also raise the index of suspicion. There also needs to be appropriate clinical support for those patients identified clinically or as a result of family studies (sibling or parent).
An Osteochondroma Limiting Flexion of the Proximal Interphalangeal Joint in Hereditary Multiple Exostosis: A Case Report
Authors: Yoshioka Shinji , Hamada Yoshitaka , Takata Shinjiro , Takai Hiroaki , Yasui Natsuo
Published: October 2009

We describe a patient in which an osteochondroma, which resulted from hereditary multiple exostoses, limited flexion of the proximal interphalangeal (PIP) joint at birth. The tumor grew over the original distal head of the proximal phalanx, and the early appearance of a second ossification center on the base of the middle phalanx was observed. The mass was removed surgically when the patient was 17 months old. There was an improvement in the range of motion at a follow-up evaluation 3 years later. The tumor shape and the growth of the affected PIP joint are examined in detail.
Abolition of Respiratory-Motion Artifact in Computed Tomography Coronary Angiography with Ultrafast Examinations: A Comparison between 64-row and 320-row Multidetector Scanners
Authors: Torres Felipe S. , Crean Andrew M. , Nguyen Elsie T. , Menezes Ravi , Doyle Deirdre , Ayyappan Anoop P. , Abadi Sobhi , Paul Narinder
Published: October 2009

Purpose

To compare the incidence of respiratory artifact in computed tomography (CT) coronary angiography performed with 64-row and 320-row multidetector scanners and to assess its effect on coronary evaluability.

Methods

A retrospective review of consecutive coronary angiograms performed on a 64-row multidetector CT from March to April 2007 (group 1: 115 patients, 63 men; mean age [standard deviation] 59.6 ± 12.8 years) and on a 320-row multidetector CT from March to April 2008 (group 2: 169 patients, 89 men; mean [SD] age 57.9 ± 11.6 years). Two cardiac radiologists assessed the occurrence of respiratory artifact and coronary evaluability in studies with respiratory artifacts. Unevaluable coronary segments because of motion at the same anatomical level of the respiratory artifact were considered unevaluable because of this artifact. The association between the occurrence of respiratory artifact and patient biometrics, medication, and scan parameters was examined.

Results

Respiratory artifacts were detected in 9 of the 115 patients from group 1 (7.8%) and in none of the 169 patients from group 2 ( P < .001). Group 1 had longer scan times (median, 9.3 seconds; range, 7.5−14.4 seconds) compared with group 2 (median, 1.5 seconds; range, 1.1−3.5 seconds; P < .001). In group 1, 4 patients (3.5%) showed unevaluable coronary segments because of respiratory artifacts, and the CT coronary angiography was repeated in 1 patient (0.9%).

Conclusions

Respiratory artifacts are important in CT coronary angiography performed with 64-row multidetector scanners and impair the diagnostic utility of the examination in up to 3.5% of the studies. These artifacts can be virtually eliminated with a faster scan time provided by 320-row multidetector CT.
Honorary Coauthorship: Does it Matter?
Authors: O'Brien Jeremy , Baerlocher Mark Otto , Newton Marshall , Gautam Tina , Noble Jason
Published: October 2009

Objective

To examine the perception of honorary coauthorship among medical academics and to determine whether a potential effect of honorary coauthorship exists on patient care.

Methods

Corresponding authors of every fourth primary research paper published in JAMA, Journal of the American Medical Association (2001−2003), Canadian Medical Association Journal (2001−2003), British Medical Journal (1998−2000), and Lancet (1998−2000) were surveyed electronically. Questions were focused on each author's personal experience and perception of honorary coauthorship.

Results

Sixty-five percent of corresponding authors responded (127/195). Fifty-five percent of respondents had published more than 50 peer-reviewed journal articles, and 52% had been listed with an honorary coauthor at some point in their career. Eighteen percent of respondents had been required at some point to list authors who had provided data via a commercial relationship. A majority of authors believed that there were potential negative effects of honorary coauthorship for both the authors themselves (73%) and for their coauthors (83%). These negative effects included personal liability for honorary authors (29%) and dilution of relative contribution for their coauthors (54%). Sixty-two percent of respondents said that honorary coauthorship may have a negative effect on patient care; however, only 2% had been involved in a case in which this phenomenon had actually occurred.

Conclusion

Honorary coauthorship remains prevalent in the medical literature, even among highly published authors, and has the potential to negatively affect patient care. Respondents believed that a number of possible negative consequences of this phenomenon exist for honorary authors, their coauthors, and patients. Efforts to understand the true influence of honorary authorship on patient care may help further curb this practice in the literature.
Psychometric properties of Chronic Pain Acceptance Questionnaires: A systematic review
Authors: Reneman Michiel F. , Dijkstra Arie , Geertzen Jan H.B. , Dijkstra Pieter U.
Published: October 2009

Background: Theoretically, acceptance of chronic pain (CP) is an important determinant in the functional status and well‐being of patients with CP. Several questionnaires that aim to measure acceptance of CP have been developed. An overview of the psychometric properties of these questionnaires is unavailable.

Methods: A systematic review of the literature of the psychometric properties of questionnaires that aim to measure acceptance of CP was performed. Psychometric properties including content construct and criterion validity, internal consistency. agreement, reliability, responsiveness, floor/ceiling effects and interpretability, were assessed using a standardized protocol. All studies were assessed by two observers independent from each other.

Results: A total of 23 studies including 4 questionnaires or subscales were identified. The questionnaires/subscales included were the Chronic Pain Acceptance Questionnaire (CPAQ), Illness Cognitions Questionnaire (ICQ), Pain Solutions Questionnaire (PASOL) and Acceptance of Illness Scale (AIS) adapted to pain. When applying the criteria of the protocol, results indicate that none of the questionnaires are currently able to meet all 9 criteria for psychometric quality. Individual questionnaires met between 0 and 3 of the criteria.

Conclusions: If strict psychometric quality criteria are applied, none of the questionnaires are currently able to meet all nine criteria for psychometric quality, but overlooking the cumulative results over all the studies conducted, especially for the CPAQ, it can be concluded that information on several important characteristics has been reported and a fairly clear picture emerges about the psychometric properties of the CPAQ.
Epidural analgesia and labor
Authors: O'Sullivan Geraldine
Published: October 2009

Whilst women vary in their needs and desire for analgesia in labor it must be acknowledged that neuraxial analgesia is the only technique that can completely relieve the pain of labor. However the technique is not without its own inherent complications, both for the mother and for the process of labor and delivery. In this article the techniques for establishing and maintaining neuraxial analgesia in labor are discussed and the advantages and disadvantages of neuraxial analgesia in labor are explored.
Δ9‐Tetrahydrocannabinol regulates the p53 post‐translational modifiers Murine double minute 2 and the Small Ubiquitin MOdifier protein in the rat brain
Authors: Gowran Aoife , Murphy Carrie E. , Campbell Veronica A.
Published: October 2009

MINT‐7266611: p53 (uniprotkb:P10361) physically interacts (MI:0915) with SUMO‐1 (uniprotkb:Q5I0H3) by anti bait coimmunoprecipitation (MI:0006)
The interaction between EAP30 and ELL is modulated by MCM2
Authors: Mathews Amit , Holland Linda , Yankulov Krassimir
Published: October 2009

MINT‐7277018, MINT‐7277061: EAP30 (uniprotkb:Q96H20) physically interacts (MI:0915) with MCM2 (uniprotkb:P49736) by anti tag coimmunoprecipitation (MI:0007)
Everything you always wanted to know about SEM (structural equations modeling) but were afraid to ask
Authors: Iacobucci Dawn
Published: October 2009

This article is intended to serve as a primer for structural equations models for the behavioral researcher. The technique is not mysterious—it is a natural extension of factor analysis and regression. The measurement part of a structural equations model is essentially a confirmatory factor analysis, and the structural part of the model is like a regression but vastly more flexible in the types of theoretical models that may be tested. The models and notation are introduced and the syntax is provided to replicate the analyses in the paper. Part II of this article will appear in the next issue of the Journal of Consumer Psychology, and it covers advanced issues, including fit indices, sample size, moderators, longitudinal data, mediation, and so forth.