bluuebunny/crossref_metadata_2025 huggingface dataset:
Uniqueness of weak solutions in critical space of the 3‐D time‐dependent Ginzburg‐Landau equations for superconductivity
Authors: Fan Jishan , Gao Hongjun
Published: July 2010

We prove the uniqueness of weak solutions of the 3‐D time‐dependent Ginzburg‐Landau equations for super‐conductivity with initial data (ψ0, A0)∈ L2 under the hypothesis that

(ψ, A) ∈ Ls(0, T; Lr,∞) ×$ L^{\bar s} $(0, T;$ L^{\bar r, \infty}) $

with Coulomb gauge for any (r, s) and $ (\bar r, \bar s) $ satisfying $ {2 \over {s}} $ + $ {3 \over {r}} $ = 1, $ {1 \over {\bar s}} $ + $ {3 \over {\bar r}} $ = 1, $ \bar s $ ≥ $ {{2s} \over {s-2}} $, $ \bar r $ ≥ $ {{2r} \over {r-2}} $ and 3 < r ≤ 6, 3 < $ \bar r $ ≤ ∞. Here Lr,∞ ≡ $ L^r_w $ is the Lorentz space. As an application, we prove a uniqueness result with periodic boundary condition when ψ0 ∈ $ L{{25} \over {7}} $, A0 ∈ L3 (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Mod p classification of Shimura F ‐crystals
Authors: Vasiu A.
Published: July 2010

Let k be an algebraically closed field of positive characteristic p. We first classify the D ‐truncations mod p of Shimura F ‐crystals over k and then we study stratifications defined by inner isomorphism classes of these D ‐truncations. This generalizes previous works of Kraft, Ekedahl, Oort, Moonen, and Wedhorn. As a main tool we introduce and study Bruhat F ‐decompositions; they generalize the combined form of Steinberg theorem and of classical Bruhat decompositions for reductive groups over k (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Direct Synthesis of Poly(potassium 3‐sulfopropyl methacrylate) Cylindrical Polymer Brushes via ATRP Using a Supramolecular Complex With Crown Ether
Authors: Xu Youyong , Walther Andreas , Müller Axel H. E.
Published: July 2010

A supramolecular complex between an ionic monomer 3‐sulfopropyl methacrylate (SPMAK) and crown ether 18‐crown‐6 (18C6) has been employed to prepare a strong anionic cylindrical polyelectrolyte brush poly(potassium 3‐sulfopropyl methacrylate) (PSPMAK) by atom transfer radical polymerization (ATRP) in polar solvent dimethyl sulfoxide (DMSO). This strategy solved the problem of the solubilities of the incompatible hydrophobic poly‐initiator and hydrophilic ionic monomer. The formation of the PSPMAK brush is well proven by 1H NMR, aqueous gel permeation chromatography (GPC), dynamic light scattering (DLS), static light scattering (SLS), atomic force microscopy (AFM), and cryogenic transmission electron microscopy (cryo‐TEM) measurements. Cleavage of the side chains and further analysis reveal that the initiating efficiency of the polymerization is as low as 0.35.

magnified image
Rotigotine improves restless legs syndrome: A 6‐month randomized, double‐blind, placebo‐controlled trial in the United States
Authors: Hening Wayne A. , Allen Richard P. , Ondo William G. , Walters Arthur S. , Winkelman John W. , Becker Philip , Bogan Richard , Fry June M. , Kudrow David B. , Lesh Kurt W. , Fichtner Andreas , Schollmayer Erwin ,   on behalf of the SP792 Study Group
Published: July 2010

This randomized, double‐blinded, placebo‐controlled trial (NCT00135993) assessed efficacy and safety of the dopamine agonist rotigotine in the treatment of idiopathic restless legs syndrome (RLS) over a 6‐month maintenance period. A total of 505 eligible participants with moderate to severe RLS (IRLS sum score ≥ 15) were randomly assigned to five groups to receive either placebo or rotigotine (0.5, 1, 2, or 3 mg/24 hr) delivered by once‐daily transdermal patch (fixed‐dose regimen). The two co‐primary efficacy parameters decreased from baseline to end of maintenance in IRLS sum score and in clinical global impressions (CGI‐1) score. On both primary measures, 2 and 3 mg/24 hr rotigotine was superior to placebo (P < 0.001). Adjusted treatment differences to placebo for the IRLS sum score were −4.5 (95% CI: −6.9, −2.2) for 2 mg/24 hr rotigotine, −5.2 (95% CI: −7.5, −2.9) for 3 mg/24 hr rotigotine, and for CGI item 1 −0.65 (95% CI: −1.0, −0.3) and −0.9 (95% CI: −1.3, −0.5) for the 2 and 3 mg/24 hr doses, respectively. Skin reactions (27%) and known dopaminergic side effects such as nausea (18.1%) and headache (11.6%) were mostly mild or moderate in rotigotine subjects. Rotigotine transdermal patches releasing 2 to 3 mg/24 hr significantly reduced the severity of RLS symptoms. Treatment efficacy was maintained throughout the 6‐month double‐blind period. © 2010 Movement Disorder Society
Phytate hydrolysate induces circumferential F‐actin ring formation at cell–cell contacts by a Rho‐associated kinase‐dependent mechanism in colorectal cancer HT‐29 cells
Authors: Suzuki Takuya , Hara Hiroshi
Published: July 2010

Phytate (inositol hexa‐phosphate or IP6) possessing anticancer activity is hydrolyzed by phytase in intestinal microbes and the metabolites are distributed throughout the colon. Cellular circumferential F‐actin rings, which are involved in cell polarity and structure, are lost early during tumorigenesis. We investigated F‐actin ring formation by the phytate hydrolysate in colorectal cancer HT‐29 cells to explore the novel mechanisms underlying the phytate‐mediated anticancer function. The phytate hydrolysate, but not inositol or phytate, induced F‐actin ring formation with a peak at 10 min in the cells and was associated with phosphorylation of myosin regulatory light chain. F‐actin ring formation and myosin regulatory light chain phosphorylation by the phytate hydrolysate were suppressed by inhibitors of Rho‐associated kinase (ROCK), Janus kinase (JAK), c‐Jun N‐terminal kinase (JNK), and protein kinase Cδ (PKCδ). Activation of ROCK and JAK, but not JNK or PKCδ, was observed at 10 min and/or earlier after stimulation with the phytate hydrolysate. Altogether, the phytate hydrolysate induces circumferential F‐actin ring formation through a ROCK‐dependent myosin II activation in the HT‐29 cells, which requires JAK activation and basal activities of JNK and PKC. Hydrolysis products of phytate in the intestine may contribute to anticancer function of phytate.
Effect of orally administered phenethyl isothiocyanate on hepatic gene expression in rats
Authors: Telang Urvi , Morris Marilyn E.
Published: July 2010

Scope: Phenethyl isothiocyanate (PEITC) is a constituent of cruciferous vegetables that has demonstrated cancer preventive activity in a number of cancer models including lung, prostate, and breast cancer. Our objective was to examine the effects of the oral administration of PEITC for 7 days on the hepatic expression of genes important in drug metabolism and toxicity in Sprague Dawley rats. The liver is the major site for the metabolism of various xenobiotics and carcinogens, and determining the effects of PEITC on the gene expression of hepatic enzymes may provide insight into mechanisms underlying the cancer preventive activity of PEITC.

Methods and results: Using a microarray containing 282 genes, we observed that PEITC significantly up‐regulated UDP‐glucuronosyltransferase UGT1A6 and strongly down‐regulated nicotinamide N‐methyltransferase (NNMT). We also confirmed the down‐regulation of NNMT by real‐time quantitative RT‐PCR. Other genes that were significantly up‐regulated were the drug metabolizing enzyme cyp2b15, the anti‐apoptotic gene bcl2l2, and the stress regulators Gadd45b, Dnajb9, Dnajb5 and Hspb1.

Conclusion: Our results indicate new targets that may be important in the mechanisms of the anticancer effects of PEITC. Of particular significance was the down‐regulation of NNMT which may represent a new target for the treatment of a variety of cancers.
Study of anisotropic shear strength of granular materials using DEM simulation
Authors: Fu Pengcheng , Dafalias Yannis F.
Published: July 2010

This paper investigates shear strength of granular materials with inherent fabric anisotropy. Most previous studies have described strength of these materials in the principal stress space, and the orientation of the bedding plane with respect to the principal stress directions was used as the reference geometrical descriptor of inherent fabric. The present study has found that it is theoretically more convenient and practically more useful to use instead the inclination angle of the bedding plane with respect to the shear plane for the same purpose. Direct shear tests and biaxial compression tests with different loading directions with respect to the bedding planes were simulated with discrete element method (DEM) models consisting of ellipse‐shaped particles. Key mechanical behaviors of natural sands reported in the literature were successfully captured in the numerical simulation. A shear failure criterion was determined as a function of the inclination angle based on the direct shear simulation results, and was used to successfully predict the results of the biaxial compression simulations. Microstructural inspection of deformation and strain localization of the biaxial compression simulations found that the proposed shear failure criterion can reasonably predict the orientations of the initial failure planes. It was also discovered that shear bands in directions conjugate to the initial failure plane orientations can develop and dominate specimen deformation at larger strain levels. Considering the availability of biaxial compression test equipment and historical data, two methods for back‐calculating inclination angle‐dependent shear strength from biaxial compression results were proposed, and validated using DEM simulation results. Copyright © 2010 John Wiley & Sons, Ltd.
Demographic and urodynamic factors associated with persistent OAB after anterior compartment prolapse repair
Authors: Fletcher Sophie G. , Haverkorn Rashel M. , Yan Jingsheng , Lee Joy J. , Zimmern Philippe E. , Lemack Gary E.
Published: July 2010

Introduction

Overactive bladder (OAB) symptoms often accompany pelvic organ prolapse. While there seems to be a relationship between symptom resolution and anatomic repair, a subset of patients will not experience improvement in OAB symptoms. Our aim was to identify preoperative demographic and urodynamic (UD) parameters related to persistence of OAB symptoms after anterior vaginal prolapse (AVP) repair.

Methods

This retrospective cohort study examined demographic and UD data from patients undergoing AVP surgery. Pre‐ and post‐operative Urogenital Distress Inventory (UDI‐6) scores for frequency, urge urinary incontinence (UUI), and difficulty voiding were analyzed, as were correlations between scores and pre‐operative UD data.

Results

From 2002 to 2008, 88 patients underwent AVP repair and were included in the final analysis. Surgery resulted in a reduction of frequency (33%), UUI (49%), and difficulty voiding (74%) at median 21 months follow‐up. Change in symptom scores was unrelated to age, parity, BMI, or AVP grade, although older women reported greater improvement in difficulty emptying after repair. Improvement in difficulty emptying was related to a larger pre‐operative post‐void residual (PVR) (129 ml vs. 31 ml, P = 0.0008). Persistent UUI after repair was significantly related to a higher preoperative PdetQmax (OR 1.056, 95% CI 1.003–1.11, P = 0.04). Other pre‐operative UDS variables were not significantly related to the persistence of OAB symptoms.

Conclusions

AVP repair reduces lower urinary tract symptoms (LUTS); however, 67% and 51% of patients will report persistent frequency and UUI, respectively, post‐operatively. In this cohort, persistent OAB symptoms were not related to age, parity, BMI, or prolapse grade, but rather to pre‐operative PdetQmax. Neurourol. Urodynam. 29:1414–1418, 2010. © 2010 Wiley‐Liss, Inc.
Large voided volume suggestive of abnormal uroflow pattern and elevated post‐void residual urine
Authors: Chang Shang‐Jen , Yang Stephen Shei‐Dei , Chiang I‐Ni
Published: July 2010

Aim

To report the cut‐off value for large voided volume (LVV) suggestive of abnormal uroflow pattern or elevated post‐void residual urine (PVR) in healthy kindergarteners.

Methods

From 2003 through 2008, we enrolled 417 healthy kindergarten children for evaluation of uroflowmetry tests and PVR. The uroflowmetry curves were interpreted if voided volumes (VV) were >50 ml, and categorized as bell‐shaped, staccato, plateau, and interrupted. Only bell‐shaped curves were categorized as normal. After 2006, PVR was assessed within 5 min after each voiding with a VV >50 ml. A PVR >20 ml is regarded as elevated. Receiver operative characteristic (ROC) curves were constructed to evaluate the cut‐off value of VV/expected bladder capacity (EBC) with regard to nonbell‐shaped uroflowmetry curves, and/or elevated PVR.

Results

Of 385 children (mean age: 4.85 ± 0.96 years), 699 uroflowmetry, and 556 PVR data were eligible for analysis. There were 502 (71.8%) bell‐shaped, 76 (10.9%) plateau, 102 (14.6%) staccato, and 19 (2.7%) interrupted curves. Mean and median PVR were 12.4 ± 21.2 and 5.5 ml, respectively. Of 556 PVRs, 96 (17.3%) were >20 ml. Based on the ROC curve for the nonbell‐shaped curves and/or elevated PVR, VV >100% EBC was best defined as LVV. There were statistically more elevated PVR, and more nonbell‐shaped curves in the voidings with than without LVV. There is a trend that peak flow rate decreased when VV was >150% EBC.

Conclusions

VV of more than 100% EBC can be defined as LVV which was associated with higher rates of abnormal uroflow pattern and/or elevated PVR. Neurourol. Urodyn. 30:58–61, 2011. © 2010 Wiley‐Liss, Inc.
Primary effusion lymphoma: genomic profiling revealed amplification of SELPLG and CORO1C encoding for proteins important for cell migration
Authors: Luan Shi‐Lu , Boulanger Emmanuelle , Ye Hongtao , Chanudet Estelle , Johnson Nicola , Hamoudi Rifat A , Bacon Chris M , Liu Hongxiang , Huang Yuanxue , Said Jonathan , Chu Peiguo , Clemen Christoph S , Cesarman Ethel , Chadburn Amy , Isaacson Peter G , Du Ming‐Qing
Published: July 2010

Primary effusion lymphoma (PEL) is associated with Kaposi sarcoma herpesvirus (KSHV) but its pathogenesis is poorly understood. Many KSHV‐associated products can deregulate cellular pathways commonly targeted in cancer. However, KSHV infection alone is insufficient for malignant transformation. PEL also lacks the chromosomal translocations seen in other lymphoma subtypes. We investigated 28 PELs and ten PEL cell lines by 1 Mb resolution array comparative genomic hybridization (CGH) and found frequent gains of 1q21–41 (47%), 4q28.3‐35 (29%), 7q (58%), 8q (63%), 11 (32%), 12 (61%), 17q (29%), 19p (34%), and 20q (34%), and losses of 4q (32%), 11q25 (29%), and 14q32 (63%). Recurrent focal amplification was seen at several regions on chromosomes 7, 8, and 12. High‐resolution chromosome‐specific tile‐path array CGH confirmed these findings, and identified selectin‐P ligand (SELPLG) and coronin‐1C (CORO1C) as the targets of a cryptic amplification at 12q24.11. Interphase FISH and quantitative PCR showed SELPLG/CORO1C amplification (>4 extra copies) and low levels of copy number gain (1–4 extra copies) in 23% of PELs, respectively. Immunohistochemistry revealed strong expression of both SELPLG and coronin‐1C in the majority of PELs, irrespective of their gene dosage. SELPLG is critical for cell migration and chemotaxis, while CORO1C regulates actin‐dependent processes, thus important for cell motility. Their overexpression in PEL is expected to play an important role in its pathogenesis. Copyright © 2010 Pathological Society of Great Britain and Ireland. Published by John Wiley & Sons, Ltd.
Proteomic study of Carissa spinarum in response to combined heat and drought stress
Authors: Zhang Minhua , Li Guowei , Huang Wei , Bi Ting , Chen Genyun , Tang Zhangcheng , Su Weiai , Sun Weining
Published: July 2010

Carissa spinarum is one of the secondary advantage plants grown in dry‐hot valleys in China, which can survive under stress conditions of high temperature and extreme low humidity. Here, we studied the physiological and proteomic changes of C. spinarum in response to 42°C heat stress treatment in combination with drought stress. Dynamic changes in the leaf proteome were analyzed at four time points during the stress treatment and recovery stages. Approximately, 650 protein spots were reproducibly detected in each gel. Forty‐nine spots changed their expression levels upon heat and drought treatment, and 30 proteins were identified by MS and 2‐D Western blot. These proteins were classified into several categories including HSP, photosynthesis‐related protein, RNA‐processing protein and proteins involved in metabolism and energy production. The potential roles of these stress‐responsive proteins are discussed.
Proteome profile of the developing maize (Zea mays L.) rachis
Authors: Pechanova Olga , Pechan Tibor , Ozkan Seval , McCarthy Fiona M. , Williams W. Paul , Luthe Dawn S.
Published: July 2010

In this study, we performed the first high‐throughput proteomic analysis of developing rachis (cob) from maize genotype Mp313E. Using two proteomic approaches, 2‐DE and 2‐D LC, we identified 967 proteins. A 2‐D proteome reference map was established. Functional classification of identified proteins revealed that proteins involved in various cellular metabolisms, response to stimulus and transport, were the most abundant.
Mapping protein cysteine sulfonic acid modifications with specific enrichment and mass spectrometry: An integrated approach to explore the cysteine oxidation
Authors: Chang Yuan‐Chang , Huang Chien‐Ning , Lin Chia‐Hung , Chang Huan‐Cheng , Wu Chih‐Che
Published: July 2010

Oxidation of thiol proteins, which results in conversion of cysteine residues to cysteine sulfenic, sulfinic or sulfonic acids, is an important posttranslational control of protein function in cells. To facilitate the analysis of this process with MALDI‐MS, we have developed a method for selective enrichment and identification of peptides containing cysteine sulfonic acid (sulfopeptides) in tryptic digests of proteins based on ionic affinity capture using polyarginine‐coated nanodiamonds as high‐affinity probes. The method was applied to selectively concentrate sulfopeptides from either a highly dilute solution or a complex peptide mixture in which the abundance of the sulfonated analyte is as low as 0.02%. The polyarginine‐coated probes exhibit a higher affinity for peptides containing multiple sulfonic acids than peptides containing single sulfonic acid. The limit of the detection is in the femtomole range, with the MALDI‐TOF mass spectrometer operating in the negative ion mode. The results show that the new approach has good specificity even in the presence of phosphopeptides. An application of this method for selective enrichment and structural identification of sulfopeptides is demonstrated with the tryptic digests of performic‐acid‐oxidized BSA.
Hybrid Sputtering‐Remote PECVD Deposition of Au Nanoparticles on SiO2 Layers for Surface Plasmon Resonance‐Based Colored Coatings
Authors: Beyene Haile Takele , Tichelaar Frans D. , Peeters Paul , Kolev Ivan , van de Sanden Mauritius C. M. , Creatore Mariadriana
Published: July 2010

In this paper, a hybrid system consisting of metal nano‐particles dispersed on the surface of a dielectric layer is presented: a remote Expanding Thermal Plasma CVD system is used for the deposition of the inorganic (i.e. SiO2) layers from hexamethyldisiloxane/oxygen mixtures in combination with an rf magnetron sputtering tool for the deposition of metallic (i.e. gold) nanoparticles on top of the SiO2 layers. The optical properties of the Au/SiO2 layers have been investigated by means of UV‐VIS‐NIR variable angle spectroscopic ellipsometry. Rutherford backscattering and transmission electron microscopy were used to determine the film density, the nanoparticle size and its distribution, respectively. The uniform distribution of gold nanoparticles on the surface of the SiO2 layers allows obtaining red‐ to blue‐ colored coatings as a consequence of the shift of the surface plasmon resonance band to higher wavelengths, caused by an increase in size of nanoparticles and metal surface coverage.

magnified image
Proteomic analysis of endoscopically (endoscopic pancreatic function test) collected gastroduodenal fluid using in‐gel tryptic digestion followed by LC‐MS/MS
Authors: Paulo Joao A. , Lee Linda S. , Wu Bechien , Repas Kathryn , Banks Peter A. , Conwell Darwin L. , Steen Hanno
Published: July 2010

Purpose: Proteomic analysis of gastroduodenal fluid offers an alternative strategy to study diseases, such as peptic ulcer disease and gastric cancer. We use in‐gel tryptic digestion followed by LC‐MS/MS (GeLC‐MS/MS) to profile the proteome of gastroduodenal fluid collected during the endoscopic pancreatic function test (ePFT).

Experimental design: Gastroduodenal fluid specimens collected during ePFT from six patients with upper abdominal pain were subjected to proteomic analysis. We extracted proteins using three chemical precipitation reagents (acetone, ethanol, and trichloroacetic acid) and analyzed each sample by SDS‐PAGE and GeLC‐MS/MS for protein identification. Cellular origin and molecular function of the identified proteins were determined via gene ontology analysis.

Results: All three precipitation techniques successfully extracted protein from gastroduodenal fluid, with acetone resulting in excellent resolution and minimal protein degradation compared with the other methods. A total of 134 unique proteins were found in our GeLC‐MS/MS analysis of ePFT‐collected gastroduodenal fluid samples. Sixty‐seven proteins were identified in at least two of the three samples. Gene ontology analysis classified these proteins mainly as being peptidases and localized extracellularly.

Conclusions and clinical relevance: ePFT, followed by acetone precipitation, and coupled with LC‐MS/MS, can be used to safely collect gastroduodenal fluid from the upper gastrointestinal tract for MS‐based proteomic analysis.
The pyruvate kinase model system, a cautionary tale for the use of osmolyte perturbations to support conformational equilibria in allostery
Authors: Fenton Aron W. , Johnson Troy A. , Holyoak Todd
Published: July 2010

In the study of rabbit muscle pyruvate kinase (M1‐PYK), proline has previously been used as an osmolyte in an attempt to determine a role for preexisting conformational equilibria in allosteric regulation. In this context, osmolytes are small molecules assumed to have no direct interaction with the protein. In contrast to proline's proposed role as an osmolyte, the structure of M1PYK‐Mn‐pyruvate‐proline complex reported herein demonstrates that proline binds specifically to the allosteric site of M1‐PYK. Therefore, this amino acid is an allosteric effector rather than a benign osmolyte. Other compounds often used as osmolytes (polyethyleneglycol and glycerol) are also present in the structure, suggesting an interaction with the protein that would, in turn, prevent the usefulness of these compounds in the study of this and most likely other proteins. These findings highlight the need to verify that compounds used as osmolytes to perturb preexisting conformational equilibrium do not directly interact with the protein, a consideration not commonly addressed in the past.
The crystal structure of the mycobacterium tuberculosis Rv3019c‐Rv3020c ESX complex reveals a domain‐swapped heterotetramer
Authors: Arbing Mark A. , Kaufmann Markus , Phan Tung , Chan Sum , Cascio Duilio , Eisenberg David
Published: July 2010

Mycobacterium tuberculosis encodes five gene clusters (ESX‐1 to ESX‐5) for Type VII protein secretion systems that are implicated in mycobacterial pathogenicity. Substrates for the secretion apparatus are encoded within the gene clusters and in additional loci that lack the components of the secretion apparatus. The best characterized substrates are the ESX complexes, 1:1 heterodimers of ESAT‐6 and CFP‐10, the prototypical member that has been shown to be essential for Mycobacterium tuberculosis pathogenesis. We have determined the structure of EsxRS, a homolog of EsxGH of the ESX‐3 gene cluster, at 1.91 Å resolution. The EsxRS structure is composed of two four‐helix bundles resulting from the 3D domain swapping of the C‐terminal domain of EsxS, the CFP‐10 homolog. The four‐helix bundles at the extremities of the complex have a similar architecture to the structure of ESAT‐6·CFP‐10 (EsxAB) of ESX‐1, but in EsxRS a hinge loop linking the α‐helical domains of EsxS undergoes a loop‐to‐helix transition that creates the domain swapped EsxRS tetramer. Based on the atomic structure of EsxRS and existing biochemical data on ESX complexes, we propose that higher order ESX oligomers may increase avidity of ESX binding to host receptor molecules or, alternatively, the conformational change that creates the domain swapped structure may be the basis of ESX complex dissociation that would free ESAT‐6 to exert a cytotoxic effect.
Enhanced repellency of binary mixtures of Zanthoxylum piperitum pericarp steam distillate or Zanthoxylum armatum seed oil constituents and Calophyllum inophyllum nut oil and their aerosols to Stomoxys calcitrans
Authors: Hieu Tran Trung , Kim Soon‐Il , Kwon Hyung Wook , Ahn Young‐Joon
Published: July 2010

BACKGROUND: The repellency to stable fly, Stomoxys calcitrans (L.), of Zanthoxylum piperitum (L.) DC pericarp steam distillate (ZP‐SD), Zanthoxylum armatum DC seed oil (ZA‐SO) and their constituents alone or in combination with Calophyllum inophyllum L. nut oil (CI‐NO), as well as six aerosol formulations containing ZP‐SD or ZP‐SO and CI‐NO, was compared with that of a synthetic repellent, DEET, using an exposed human hand bioassay.

RESULTS: At 0.20 mg cm−2, ZP‐SD treatments resulted in 91 and 68% repellency following 30 and 60 min exposure respectively, while DEET gave 100 and 84% repellency. ZA‐SO was less effective than ZP‐SD. At 0.2 mg cm−2, the most active constituents, cuminaldehyde, cuminyl alcohol, limonene and methyl cinnamate, gave 82, 74, 74 and 64% repellency at 30 min respectively, but DEET gave 100 and 87% repellency at 30 and 60 min. An increase in effectiveness and duration of repellency was produced by binary mixtures of ZP‐SD, ZA‐SO or bioactive constituents (each 0.01 mg cm−2) and CI‐NO (0.99 mg cm−2). The repellency of aerosols containing 2.5% ZP‐SD or 2.5% ZA‐SO and 2.5% CI‐NO was comparable with that of 5% DEET aerosol.

CONCLUSION: Mixtures formulated from ZP‐SD, ZA‐SO or bioactive constituents and CI‐NO could be useful as potential repellents for the control of stable fly populations in light of global efforts to reduce the level of highly toxic synthetic repellents. Copyright © 2010 Society of Chemical Industry
Risk assessment for honey bees and pesticides—recent developments and ‘new issues’
Authors: Thompson Helen M
Published: July 2010

In 2008, major areas of discussion at the ICPBR Bee Protection Group meeting were the development of a honey bee risk assessment scheme for systemic pesticides and revision of the test guidelines for semi‐field and field studies. The risk assessment scheme for systemic pesticides is based on analysis of conditions for exposure of bees to residues. These are based on a stepwise approach, starting with simple calculations based on existing data in dossiers and progressing to higher‐tier semi‐field and field studies (the guidelines for these have been modified in line with this). The proposed scheme has been tested with data packages of high‐ and low‐risk PPPs. A future area of interest for the group may be the risks posed by guttation fluid containing systemic pesticides. A recent paper on ‘Translocation of neonicotinoid insecticides from coated seeds to seedling guttation drops: a novel way of intoxication for bees’ has focused significant interest on the possible risks posed by the presence of residues of systemic pesticides in guttation fluid to water‐collecting honey bees. The occurrence of guttation and the presence of pesticide residues in the fluid are discussed, together with remaining questions that will need to be addressed in answering whether such a route of exposure may pose a risk to honey bees. © Crown copyright 2010. Reproduced with permission of Her Majesty's Stationery Office. Published by JohnWiley & Sons, Ltd.
Effect of electric field on dielectric, ac conduction and ferroelectric behavior of flux‐grown Pb(Zn1/3 Nb2/3)0.91Ti0.09O3 single crystals
Authors: Singh B. K. , Kumar K. , Gupta M. K. , Kumar B.
Published: July 2010

The temperature dependence of dielectric and piezoelectric behavior of Pb(Zn1/3 Nb2/3)0.91Ti0.09O3 single crystals has been investigated for samples poled at different fields along [0 0 1] direction. An increase in rhombohedral to tetragonal phase‐transition temperature (Trt) with dc field was observed due to the polarization rotation via a monoclinic phase. At higher field, a small kink in the dielectric constant near 125 °C was observed, suggesting a field‐induced rhombohedral to monoclinic phase transition. The activation energy for conduction, below Trt, was determined as 0.17, 0.32, and 0.11 eV for the samples poled at 0, 0.5, and 1.0 kV/mm, respectively.
Cylinder‐shaped ultrasonic motors based on conventional piezoelectric ceramics and novel single crystals
Authors: Luo Laihui , Zhu Yuejin , Luo Haosu
Published: July 2010

Two medium‐sized ultrasonic motors using the first‐order bending vibration (B1) of a cylinder with two free–free ends have been developed in this study. The cylinder‐shaped stators are 10 mm in diameter and 25 mm in length. They are based on novel Pb(Mg1/3Nb2/3)O3–PbTiO3 (PMN–PT) single crystal and conventional Pb(Zr,Ti)O3 (PZT) ceramic. The stators of the motors were simulated by a finite element method. The main performances of the motors were measured. The results show that the PMN–PT‐crystal‐based motor with medium size overmatches the conventional PZT‐based motor with: wider exciting frequency; lower exciting voltage, and much larger mechanical output power. The largest revolution speed of the PMN–PT motor is 780 rpm and a maximum load of ∼0.008 N m.
Luminescence of F+‐type centers in undoped Lu3Al5O12 single crystals
Authors: Babin V. , Laguta V.V. , Maaroos A. , Makhov A. , Nikl M. , Zazubovich S.
Published: July 2010

Undoped single crystals of Lu3Al5O12 annealed in the reduced atmosphere or additively colored in Al vapors were studied at 4.2–400 K by the time‐resolved spectroscopy methods. The 3.15 eV emission, excited in the 3.4, 5.3, and 6.1 eV absorption bands and having a decay time of 3.14 ns at 10 K, was ascribed to the F+‐type centers. It was suggested that these centers consist of an oxygen vacancy with one trapped electron which is perturbed by the neighboring antisite defect (Lu) or an impurity ion at the Al3+ site. The small Stokes shift and half‐width of the emission band indicate that the F+‐type centers are characterized by a weak electron–phonon interaction.
Improved design of robust exponentially weighted moving average control charts for autocorrelated processes
Authors: Lee Hyun Cheol , Apley Daniel W.
Published: July 2010

Residual‐based control charts for autocorrelated processes are known to be sensitive to time series modeling errors, which can seriously inflate the false alarm rate. This paper presents a design approach for a residual‐based exponentially weighted moving average (EWMA) chart that mitigates this problem by modifying the control limits based on the level of model uncertainty. Using a Bayesian analysis, we derive the approximate expected variance of the EWMA statistic, where the expectation is with respect to the posterior distribution of the unknown model parameters. The result is a relatively clean expression for the expected variance as a function of the estimated parameters and their covariance matrix. We use control limits proportional to the square root of the expected variance. We compare our approach to two other approaches for designing robust residual‐based EWMA charts and argue that our approach generally results in a more appropriate widening of the control limits. Copyright © 2010 John Wiley & Sons, Ltd.
Use of stable isotope labeled probes to facilitate liquid chromatography/mass spectrometry based high‐throughput screening of time‐dependent CYP inhibitors
Authors: Dasgupta Malini , Tang Weimin , Caldwell Gary W. , Yan Zhengyin
Published: July 2010

Inhibition curve shift is a commonly used approach for screening of time‐dependent CYP inhibitors which requires parallel paired incubations to obtain two inhibition curves for comparison. For the control incubation, a test compound is co‐incubated with a probe substrate in human liver microsomes (HLM) fortified with NADPH; for the time‐dependent incubation (TDI), the test compound is pre‐incubated with NADPH‐fortified HLM followed by a secondary incubation with a probe substrate. For both incubations, enzyme activity is measured respectively by liquid chromatography/tandem mass spectrometry (LC/MS/MS) analysis of the CYP‐specific metabolite, and a TDI inhibitor can be readily identified by inhibition curve shifting as a result of CYP inactivation by the test compound during the pre‐incubation. In the present study, we describe an alternative approach to facilitate TDI screening in which stable isotope labeled CYP‐specific probes are used for the TDI, and non‐labeled substrates are included in the control incubation. Because CYP‐specific metabolites produced in the TDI are stable isotope labeled, two sets of incubation samples can be combined and then simultaneously analyzed by LC/MS/MS in the same batch run to reduce the run time. This new method has been extensively validated using both a number of known competitive and TDI inhibitors specific to five most common CYPs such as 1A2, 2C9, 2C19, 2D6, and 3A4. The assay is performed in a 96‐well format and can be fully automated. Compared to the traditional method, this approach in combination with sample pooling and a short LC/MS/MS gradient significantly enhances the throughput of TDI screening and thus can be easily implemented in drug discovery to evaluate a large number of compounds without adding additional resource. Copyright © 2010 John Wiley & Sons, Ltd.
Structural characterization of poly(amino)ester dendrimers and related impurities by electrospray tandem mass spectrometry
Authors: Tintaru Aura , Monnier Valérie , Bouillon Camille , Giordanengo Rémi , Quéléver Gilles , Peng Ling , Charles Laurence
Published: July 2010

An acid‐terminated poly(amino)ester dendrimer was studied by electrospray ionization tandem mass spectrometry to establish its fragmentation pathways, with the aim of using them to investigate the structure of any defective molecules generated during the dendrimer synthesis. This poly(amino)ester dendrimer could be ionized in both polarities but the most structurally relevant dissociation pathways were found from the deprotonated molecule in negative ion mode. The dissociation pattern of this dendrimer is fully described and supported by accurate mass measurements. The main dissociation reactions of the negatively charged polyacidic dendrimer were shown to consist of (i) the release of carbon dioxide and ethene within a branch, which proceeds as many times as intact neutral branches are available; and (ii) the elimination of an entire dendrimer arm. Monitoring the occurrence of these reactions together with any deviation from these two main routes allowed six major dendritic impurities to be structurally characterized. Copyright © 2010 John Wiley & Sons, Ltd.
Analysis of triglycerides in food items by desorption electrospray ionization mass spectrometry
Authors: Gerbig Stefanie , Takáts Zoltán
Published: July 2010

The triglyceride composition and oxidation behavior of edible oil and margarine samples were analyzed by desorption electrospray ionization mass spectrometry (DESI‐MS). For the characterization of the lipids, the chain length and the degree of unsaturation of the fatty acids were determined. The measurements were carried out in positive ion mode; the triglycerides were detected as alkali metal or ammonium adducts. The DESI solvent was water/methanol 1:1 (v/v); measurements were carried out both with and without the addition, as an ionizing agent, of ammonium acetate that enhances the signal intensity of the ammonium adduct ions. The spectra were interpreted for both cases and intensities were compared. Triglyceride monomers and dimers were observed in the spectra. Tandem mass spectrometric (MS/MS) measurements were carried out to determine the structure of the triglycerides. It was demonstrated that the terminal fatty acids in the sn1‐ or sn3‐position are more likely to be cleaved than the internal fatty acid (sn2‐position). Characteristic triglyceride patterns were obtained using a simple and rapid sample preparation protocol comprising the simple deposition of samples onto a glass carrier surface. The triglyceride data was analyzed by principal component analysis (PCA). The different edible oils were clearly separated and the hydrogenated derivatives were identified by their triglyceride spectra. The oxidation of the oil samples was observed and the oxidation products were detected and identified. This method provides a fast and simple technique for the detection and analysis of triglycerides in oil‐ or fat‐containing samples ranging from food items to tissue samples. The potential application areas include nutritional studies, the food industry and cosmetics. Copyright © 2010 John Wiley & Sons, Ltd.
Analysis of hydroxylated polybrominated diphenyl ether metabolites by liquid chromatography/atmospheric pressure chemical ionization tandem mass spectrometry
Authors: Lupton Sara J. , McGarrigle Barbara P. , Olson James R. , Wood Troy D. , Aga Diana S.
Published: July 2010

Hydroxylated polybrominated diphenyl ether (OH‐PBDEs) metabolites have the potential to cause endocrine disruption as well as other health effects. Currently, gas chromatography/mass spectrometry (GC/MS) after derivatization is used for the analysis of OH‐PBDEs. However, there is a need for the direct analysis of OH‐PBDEs at relatively low concentrations in environmental and biological samples. Liquid chromatography with atmospheric pressure chemical ionization tandem mass spectrometry (LC/APCI‐MS/MS) was evaluated for the analysis of nine OH‐PBDEs, ranging from tri‐ to hexabrominated. Separation of the nine isomeric metabolites was achieved with reversed‐phase liquid chromatography, followed by detection by APCI‐MS in negative mode. Notably, a significant decrease in ionization was observed in 6‐hydroxyl‐substituted PBDE metabolites in the presence of anortho‐substituted bromine, relative to the other hydroxylated metabolites. This is probably due to the formation of dioxins in the source as a result of the high‐temperature conditions, which prevented ionization by hydrogen abstraction. The MS/MS experiments also provided evidence of the neutral losses of HBr and Br2, indicating the possible use of neutral loss scanning and selected reaction monitoring (SRM) for the screening of brominated metabolites in samples. The applicability of LC/APCI‐MS/MS was demonstrated for the analysis of metabolites of BDEs 47 and 99 formed in human liver microsomes. The LC/APCI‐MS/MS method was able to detect metabolites that had previously been identified by GC/MS following derivatization. Copyright © 2010 John Wiley & Sons, Ltd.
Matrix‐free laser desorption/ionization mass spectrometry using silicon glancing angle deposition (GLAD) films
Authors: Jemere Abebaw B. , Bezuidenhout Louis W. , Brett Michael J. , Harrison D. Jed
Published: July 2010

Glancing angle deposition (GLAD) was used to fabricate nanostructured silicon (Si) thin films with highly controlled morphology for use in laser desorption/ionization mass spectrometry (DIOS‐MS). Peptides, drugs and metabolites in the mass range of 150–2500 Da were readily analyzed. The best performance was obtained with 500 nm thick films deposited at a deposition angle of 85°. Low background mass spectra and attomole detection limits were observed with DIOS‐MS for various peptides. Films used after three months of dry storage in ambient conditions produced mass spectra with negligible low‐mass noise following a 15 min UV‐ozone treatment. The performance of the Si GLAD films was as good as or better than that reported for electrochemically etched porous silicon and related materials, and was superior to matrix‐assisted laser desorption/ionization (MALDI)‐MS for analysis of mixtures of small molecules between 150–2500 Da in terms of background chemical noise, detection limits and spot‐to‐spot reproducibility. The spot‐to‐spot reproducibility of signal intensities (100 shots/spectrum) from 21 different Si GLAD film targets was ±13% relative standard deviation (RSD). The single shot‐to‐shot reproducibility of signals on a single target was ±19% RSD (n = 7), with no indication of sweet spots or mute spots. Copyright © 2010 John Wiley & Sons, Ltd.
On the structural diversity of Shiga toxin glycosphingolipid receptors in lymphoid and myeloid cells determined by nanoelectrospray ionization tandem mass spectrometry
Authors: Hoffmann Petra , Hülsewig Marcel , Duvar Sevim , Ziehr Holger , Mormann Michael , Peter‐Katalinić Jasna , Friedrich Alexander W. , Karch Helge , Müthing Johannes
Published: July 2010

Shiga toxin (Stx, synonymous to verotoxin, VT) binds with high and low affinity to the globo‐series neutral glycosphingolipids (GSLs), globotriaosylceramide (Gb3Cer or Galα4Galβ4Glcβ1Cer, also known as CD77) and globotetraosylceramide (Gb4Cer or GalNAcβ3Galα4Galβ4Glcβ1Cer), respectively, which represent the targets of Stxs on many different cell types. B‐cell‐derived Raji cells and THP‐1 cells of monocytic origin are widely used for the investigation of Stx‐mediated cellular response, because Stx is known to cause cell death in both cell lines. Despite their functional importance, the Stx receptors of Raji and THP‐1 cells have so far not been investigated. This prompted us to explore the structures of their GSL receptors in detail by means of nanoelectrospray ionization quadrupole time‐of‐flight mass spectrometry (nanoESI‐QTOF‐MS) with collision‐induced dissociation (CID) in conjunction with Stx1 as well as anti‐Gb3Cer and anti‐Gb4Cer antibodies. Using the combination of a thin‐layer chromatography (TLC) overlay assay and MS1 and MS2 analysis we identified Gb3Cer (d18:1, C24:1/C24:0) as the prevalent Stx1‐receptor accompanied by less abundant Gb3Cer (d18:1, C16:0) in the neutral GSL fraction of Raji cells. The same Gb3Cer species but with almost equal proportions of the C24:1/C24:0 and C16:0 variants were found in THP‐1 cells. In addition, unusual hydroxylated Gb3Cer (d18:1, C24:1/C24:0) and Gb3Cer (d18:1, C26:1) could be identified in trace quantities in both cell lines. As the most obvious difference between Raji and THP‐1 cells we observed the expression of Gb4Cer in THP‐1 cells, whereas Raji cells failed to express this elongation product of Gb3Cer. Both short‐ and long‐chain fatty acid carrying Gb4Cer (d18:1, C16:0) and Gb4Cer (d18:1, C24:1/C24:0), respectively, were the prevalent Gb4Cer variants. This first report on the differential expression of Gb3Cer and Gb4Cer and their structural diversity in lymphoid and myeloid cell lines supports the hypothesis that such heterogeneities might play a functional role in the molecular assembly of GSLs in membrane organization and cellular signaling of Stx‐susceptible cells. Copyright © 2010 John Wiley & Sons, Ltd.
Mass spectrometric characterization of urinary metabolites of the selective androgen receptor modulator andarine (S‐4) for routine doping control purposes
Authors: Thevis Mario , Thomas Andreas , Fußhöller Gregor , Beuck Simon , Geyer Hans , Schänzer Wilhelm
Published: July 2010

Selective androgen receptor modulators (SARMs) are potent anabolic agents with tissue‐selective properties. Due to their potential misuse in elite sport, the World Anti‐Doping Agency (WADA) has prohibited SARMs since 2008, and although no representative drug candidate has yet received full clinical approval, recent findings of SARMs illegally sold via the internet have further supported the need to efficiently test for these compounds in doping controls. In the present communication, the mass spectrometric characterization of urinary metabolites of the SARM Andarine (also referred to as S‐4) compared with earlier in vitro and animal studies is reported. Liquid chromatography interfaced to high‐resolution/high‐accuracy (tandem) mass spectrometry was used to identify phase I and II metabolites, confirming the predicted target analytes for sports drug testing purposes including the glucuronic acid conjugates of the active drug, its monohydroxylated and/or deacetylated product, the hydrolysis product resulting from the removal of the compound's B‐ring, as well as the sulfate of the monohydroxylated and the deacetylated phase I metabolite. The obtained data will support future efforts to effectively screen for and confirm the misuse of the non‐approved drug candidate Andarine. Copyright © 2010 John Wiley & Sons, Ltd.
Applying the silver‐tube introduction method for thermal conversion elemental analyses and a new δ2H value for NBS 22 oil
Authors: Coplen Tyler B. , Qi Haiping
Published: July 2010

The δ2HVSMOW–SLAP value of total hydrogen of the international measurement standard NBS 22 oil was determined by a new method of sealing water in silver tubes for use in a thermal conversion elemental analysis (TC/EA) reduction unit. The isotopic fractionation of water due to evaporation is virtually non‐existent in this silver‐tube method. A new value for the δ2HVSMOW–SLAP of NBS 22 oil, calibrated with isotopic reference waters, was determined to be −116.9 ± 0.8‰ (1σ and n = 31). Published in 2010 by John Wiley & Sons, Ltd.
Visual inspection of hydroelectric dams using an autonomous underwater vehicle
Authors: Ridao Pere , Carreras Marc , Ribas David , Garcia Rafael
Published: July 2010

This paper presents an automated solution to the visual inspection problem of hydroelectric dams. A small autonomous underwater vehicle, controllable in four degrees of freedom (surge, sway, heave, and yaw), is used for autonomously exploring the wall of a dam. The robot is easily programmed using a mission control language. Missions are executed by an intelligent control architecture that guides the robot to follow a predefined path surveying the wall. During the mission, the robot gathers onboard navigation data synchronized with optical imagery, sonar, and absolute navigation data, obtained from a moored buoy equipped with an ultra‐short baseline system. After the mission, the images of the wall are used to build a photomosaic of the inspected area. First, image features are matched over the image sequence. Then, navigation data and interimage correspondences are optimized together using bundle adjustment techniques. Thus, a georeferenced globally aligned set of images is obtained. Finally, a blending algorithm is used to obtain smooth seam transitions among the different images that constitute the mosaic, compensating for light artifacts and improving the visual perception of the scene. © 2010 Wiley Periodicals, Inc.