bluuebunny/crossref_metadata_2025 huggingface dataset:
T cells induced by recombinant chimpanzee adenovirus alone and in prime‐boost regimens decrease chimeric EcoHIV/NDK challenge virus load
Authors: Roshorm Yaowaluck , Cottingham Mathew G. , Potash Mary‐Jane , Volsky David J. , Hanke Tomáš
Published: August 2012

The popularity of nonreplicating adenoviruses of chimpanzee origin (ChAdVs) as vectors for subunit vaccines is on the rise. This is mainly for their excellent safety and impressive immunogenicity observed in human studies to date. Here, we recloned the chimpanzee adenovirus sero type 68 (ChAdV‐68), also designated SAdV‐25 and AdC68, genome and demonstrated its straightforward genetic manipulation facilitated by the use of bacterial artificial chromosome recombineering. To generate the ChAdV68.GagB vaccine, the HIV‐1 consensus clade B Gag‐derived Tg was inserted into the E1 region. In part confirming previous observations, the ChAdV68.GagB vaccine alone and in heterologous prime‐boost regimens with plasmid DNA‐ and modified vaccinia virus Ankara (MVA)‐vectored vaccines induced robust polyfunctional HIV‐1‐specific CD8+ and CD4+ T‐cell responses with a gut‐homing phenotype. Importantly, we showed that when a single epitope is expressed as an immunodominant CD8+ T‐cell determinant, responses elicited by ChAdV68.GagB alone and in combination lowered surrogate challenge EcoHIV/NDK (where EcoHIV is chimeric ecotropic HIV) virus load in mice both at the peak T‐cell frequencies 2 weeks after vaccination and 16 weeks later indicating development of protective effector memory. These results parallel the immunogenicity of similar vaccine regimens in macaques and an ongoing phase I/IIa trial in humans, and support further development of vaccines vectored by ChAdVs.
Structural Insight into the Prolyl Hydroxylase PHD2: A Molecular Dynamics and DFT Study
Authors: Wick Christian R. , Lanig Harald , Jäger Christof M. , Burzlaff Nicolai , Clark Timothy
Published: August 2012

We describe computational studies of the mode of action of the prolyl hydroxylase domain containing protein (PHD2). Long‐term molecular dynamics (MD) simulations were performed to investigate the rigidity of the crystallographically observed conformations of PHD2 in solution. We also describe the influence of the C‐terminal oxygen‐dependent degradation domain (CODD) of hypoxia inducible factor 1α (HIF‐1α) on the overall behaviour of the protein, including the effect of the natural ligand 2‐oxoglutarate (2OG) and an isoquinoline inhibitor. To study the geometry of the 2‐His‐1‐carboxylate facial triad and its dependency on the protein environment, we performed DFT calculations on model systems and compared them with quantum mechanics/molecular mechanics (QM/MM) gas‐phase energy minimisations, which allowed us to treat the whole protein. The combination of these methods provides insight into the behaviour of the 2‐His‐1‐carboxylate facial triad with 2OG and an inhibitor of PHD2 on the atomistic scale.
Barium Carboxylate Metal–Organic Framework – Synthesis, X‐ray Crystal Structure, Photoluminescence and Catalytic Study
Authors: Maity Tanmoy , Saha Debraj , Das Soma , Koner Subratanath
Published: August 2012

A new 3D alkaline earth metal–organic framework (MOF), [Ba(Hdcp)H2O]n (1) (H3dcp = 3,5‐pyrazoledicarboxylic acid), has been hydrothermally synthesized and structurally characterized by single‐crystal X‐ray diffraction analysis. A crystallographic study reveals that each metal ion in 1 is coordinated by eight O atoms and one N atom. Each 3,5‐pyrazoledicarboxylato (Hdcp2–) ligand coordinates to six alkaline earth metal centers through two carboxylate groups, each of which adopts a μ3‐η2:η1‐bridging coordination mode to afford a 3D network. Thermogravimetric analysis reveals that 1 is thermally stable up to ca. 230 °C. An emission band at ca. 466 nm (λmax) was observed in the photoluminescence spectrum of 1 in the solid state at room temperature. Compound 1 heterogeneously catalyzes the aldol condensation reactions of various aromatic aldehydes with acetone, cyclohexanone, acetophenone, and cyclopentanone.
Facile Self‐Assembly Synthesis and Characterization of Diselenophosphinato Octanuclear CuI Clusters Inscribed in a Twelve‐Vertex Selenium Polyhedron
Authors: Liao Ping‐Kuei , Shi De‐Ren , Liao Jian‐Hong , Liu C. W. , Artem'ev Alexander V. , Kuimov Vladimir A. , Gusarova Nina K. , Trofimov Boris A.
Published: August 2012

The self‐assembly synthesis and structural characterization of the first representatives of diselenophosphinato octanuclear CuI clusters inscribed in a twelve‐vertex selenium polyhedron are reported herein. An extremely facile (room temp., THF, 1 h) reaction between [Cu(MeCN)4](PF6) and ammonium diselenophosphinate, [NH4][Se2P(CH2CH2Ph)2] (1), in a 4:3 molar ratio resulted in the self‐assembly of copper(I) cluster [Cu8{Se2P(CH2CH2Ph)2}6](PF6)2 (2) containing an empty Cu8 cubic core. Meanwhile, when the reactants were allowed to react in the presence of appropriate anion sources, new anion‐centered octanuclear copper(I) clusters self‐assembled. Thus, the interaction of [Cu(MeCN)4](PF6) with diselenophosphinate 1 in the presence of [Cs4(P2Se6)(H2O)4] as Se2– source under the same conditions gave neutral selenide‐centered octanuclear copper cluster [Cu8(Se){Se2P(CH2CH2Ph)2}6] (3). Three novel anion‐centered Cu8 clusters of general formula [Cu8(X){Se2P(CH2CH2Ph)2}6](PF6) [X = H (4), Cl (5), or Br (6)] were synthesized in high yields by self‐assembly reactions between Cu[(MeCN)4]PF6 and diselenophosphinate 1 in the presence of the corresponding anion sources (NaBH4 for H–, Bu4NCl for Cl–, and [Bu4N]Br forBr–) under exceptionally mild conditions (room temp., THF, 4 h). X‐ray diffraction studies showed structures 3, 5, and 6 to consist of an anion‐centered cubic Cu8 core capped by six diselenophosphinate ligands, whereas cluster 4 contains a tetracapped tetrahedral Cu8 cage with an interstitial hydride anion. In all the clusters, each of the six diselenophosphinate ligands exhibits a tetrametallic tetraconnective (μ2,μ2) coordination pattern.
Magnetic Ionogels (MagIGs) Based on Iron Oxide Nanoparticles, Poly(N‐isopropylacrylamide), and the Ionic Liquid Trihexyl(tetradecyl)phosphonium Dicyanamide
Authors: Ziółkowski Bartosz , Bleek Katrin , Twamley Brendan , Fraser Kevin J. , Byrne Robert , Diamond Dermot , Taubert Andreas
Published: August 2012

Magnetic ionogels (MagIGs) were prepared from organosilane‐coated iron oxide nanoparticles, N‐isopropylacrylamide, and the ionic liquid trihexyl(tetradecyl)phosphonium dicyanamide. The ionogels prepared with the silane‐modified nanoparticles are more homogeneous than ionogels prepared with unmodified magnetite particles. The silane‐modified particles are immobilized in the ionogel and are resistant tonanoparticle leaching. The modified particles also render the ionogels mechanically more stable than the ionogels synthesized with unmodified nanoparticles. The ionogels respond to external permanent magnets and are therefore prototypes of a new soft magnetic actuator.
Transfer Hydrogenation of Aryl Ketones with Half‐Sandwich RuII Complexes That Contain Chelating Diamines
Authors: Türkmen Hayati , Kani İbrahim , Çetinkaya Bekir
Published: August 2012

In a comparative study, half‐sandwich complexes of RuII (1) with pyridine‐based chelating diamine [NN = 2‐aminomethylpiperidine (ampi), a; 2‐aminomethylpyridine (ampy), b; 8‐aminoquaniline (aquan), c; 4,4′‐dimethyl‐2,2′‐bipyridine (dbipy), d; 2,2′‐bipyridine (bipy), e] or amine amide (Ts‐ampi, 2a) were synthesized by cleavage of [{(η6‐p‐cymene)Ru(μ‐Cl)Cl}2] dimer and the resulting complexes were screened for their efficiency in the transfer hydrogenation (TH) of acetophenone in 2‐propanol (IPA) at 82 °C or in water in HCOONa. Among the complexes, cationic 1a, neutral 2a, and 1b, which bear ampi and ampy, were the most effective in terms of catalyst performance (turnover frequency values: 198, 6000, 23 h–1, respectively).
Two 3D Supramolecular Isomeric Mixed‐Ligand CoII Frameworks – Guest‐Induced Structural Variation, Magnetism, and Selective Gas Adsorption
Authors: Liu Dan , Liu Yongxin , Xu Guohai , Li Guanghua , Yu Yang , Wang Cheng
Published: August 2012

Two 3D supramolecular isomers with composition Co2(BDC)2(BPNO) (BPNO = 4,4′‐bipyridyl N,N′‐dioxide, BDC = 1,4‐benzenedicarboxylic acid) were prepared by using mixed ligands in different solvents. The two compounds are built up from different infinite chains of corner‐sharing CoO6 octahedra. In compound 1, 2D Co–BDC layers are pillared by neutral BPNO to form a 3D framework, while in compound 2, the interconnection between the zig‐zag Co–O chains and two organic moieties leads to a Co‐based MIL‐53 analogue containing 1D nanosized rhombic channels. Compound 1 is a weak ferromagnet with two field‐induced magnetic transitions, and compound 2 displays antiferromagnetic interactions. Furthermore, compound 1 shows a typical solvatomagnetic effect and its desolvated compound appears to be a hidden weak ferromagnet with two field‐induced magnetic transitions. The structural variation between compounds 1 and 2 is ascribed to the different host–guest interactions within the two compounds and is believed to be responsible for the difference in the magnetic properties. As a result of their identical framework composition, compounds 1 and 2, after removal of the guest molecules, exhibited similar gas adsorption behavior.
Assembly of Dimethyl Acetylenedicarboxylate and Phosphanes with Aldehydes Leading to γ‐Lactones Bearing α‐Phosphorus Ylides as Wittig Reagents
Authors: Deng Jie‐Cheng , Chan Fu‐Wei , Kuo Chih‐Wei , Cheng Chun‐An , Huang Chien‐Yu , Chuang Shih‐Ching
Published: August 2012

We report herein a convenient route to the synthesis of aryl‐substituted γ‐lactones bearing an α‐phosphorus ylide moiety through the assembly of dimethyl acetylenedicarboxylate (DMAD), electron‐deficient aldehydes, and triaryl‐ or trialkylphosphanes in moderate to good yields. The formation of γ‐lactones is highly dependent on the reaction time, the phosphane nucleophile, and the molar ratio of DMAD, aldehyde, and phosphane. We found that reactions with a DMAD/aldehyde/tri‐p‐tolylphosphane molar ratio of 3:1:6 and more electron‐deficient aldehydes, such as 4‐nitrobenzaldehyde and 4‐chloro‐3‐nitrobenzaldehyde, gave good yields. The isolated ylides reacted with aldehydes as Wittig reagents to give olefins in moderate yields.
One‐Pot Synthesis of 3,5‐Disubstituted Isoxazoles from Propargylic Alcohols through Propargylic N‐Hydroxylamines
Authors: Raji Reddy Chada , Vijaykumar Jonnalagadda , Jithender Enukonda , Reddy Gangireddy Pavan Kumar , Grée René
Published: August 2012

An efficient approach has been described for the synthesis of 3,5‐disubstituted isoxazoles from propargylic alcohols. The strategy involves a one‐pot p‐TSA‐catalyzed N‐propargylation of protected hydroxylamines followed by a TBAF‐mediated detosylative 5‐endo‐dig cyclization. The method was successfully used for the synthesis of various 3,5‐disubstituted isoxazoles.
Phosphane‐Catalyzed [4+2] Annulation of Allenoates with Ketimines: Synthesis of Sultam‐Fused Tetrahydropyridines
Authors: Chen Xiang‐Yu , Ye Song
Published: August 2012

Cyclic ketimines were successfully used as electrophiles in phosphane‐catalyzed [4+2] annulation reactions with ethyl 2‐methyl‐2,3‐butadienoate to give the corresponding highly substituted tetrahydropyridine derivatives in moderate to good yields (55–73 %), and with moderate to excellent regioselectivity.
Microwave‐Assisted Synthesis and Spectroscopic Properties of 4′‐Substituted Rosamine Fluorophores and Naphthyl Analogues
Authors: Cardoso Inês C. S. , Amorim Ana L. , Queirós Carla , Lopes Sílvia C. , Gameiro Paula , de Castro Baltazar , Rangel Maria , Silva Ana M. G.
Published: August 2012

A series of rosamine fluorophores was obtained by reaction of the appropriate benzaldehyde and 3‐(diethylamino)phenol followed by an oxidation step. Both conventional heating and microwave irradiation methods were utilized, and higher yields in a remarkably shorter period of time (10 min) were achieved by using the microwave irradiation protocol under closed vessel conditions (80 °C). The nitro‐substituted rosamine was further converted into the corresponding amino derivative through Pd/C‐catalysed hydrogenation. The synthetic protocol used for rosamines was also successfully employed to synthesise naphthyl analogues by using 1‐ and 2‐naphthaldehyde. In the latter case, a novel hydroxy analogue was also obtained as a minor product. The photophysical behaviour of all the rosamines was studied in different solvents to rationalize the influence of the substituent groups on the electronic distribution, the effect of steric hindrance caused by the naphthyl ring, and the effect of the solvent. The results demonstrate that the introduction of different substituents in the periphery of the rosamine framework (in particular NO2 and NH2 groups) alters the fluorescence properties of the molecule such as emission wavelength and fluorescence quantum yield. All the rosamines are shown to be more fluorescent in dichloromethane than in more polar solvents such as ethanol. The spectroscopic properties of the 4′‐carboxy‐substituted rosamine, which is particularly attractive for labelling purposes, was also studied at physiological pH.
Synthesis of Indeno[1,2‐b]indole Derivatives through One‐Pot Sequential or Two‐Step Iodine‐Catalyzed C–O Activation and Palladium‐Catalyzed C–H Functionalization
Authors: Xu Hai‐Yan , Xu Xiao‐Ping , Wang Shun‐Yi , Ji Shun‐Jun
Published: August 2012

An efficient route for the synthesis of indeno[1,2‐b]indoles as tetracyclic derivatives of indole bearing 2‐oxo‐1‐pyrrolidine moieties through one‐pot sequential or two‐step iodine‐catalyzed C–O activation and palladium‐catalyzed C–H functionalization is reported.
Efficient Catalysis of Aqueous Morita–Baylis–Hillman Reactions of Cyclic Enones by a Bicyclic Imidazolyl Alcohol
Authors: Gomes Juliana C. , Rodrigues Jr. Manoel T. , Moyano Albert , Coelho Fernando
Published: August 2012

In this paper a new phosphorus‐free catalyst for the Morita–Baylis–Hillman reaction is disclosed. A bicyclic imidazolyl alcohol having a Lewis basic center associated with a hydrogen‐bond donor group was used as catalyst for the reaction. Aliphatic cycloalkanones such as 2‐cyclopentenone and 2‐cyclohexanone and aliphatic and aromatic aldehydes were used successfully, and the reaction was found to work nicely using water as solvent in the presence of a phase‐transfer additive.
Levels of select PCB and PBDE congeners in human postmortem brain reveal possible environmental involvement in 15q11‐q13 duplication autism spectrum disorder
Authors: Mitchell Michelle M. , Woods Rima , Chi Lai‐Har , Schmidt Rebecca J. , Pessah Isaac N. , Kostyniak Paul J. , LaSalle Janine M.
Published: August 2012

Persistent organic pollutants (POPs), including polychlorinated biphenyls (PCBs) and polybrominated diphenylethers (PBDEs) that bioaccumulate in lipid‐rich tissues are of concern as developmental neurotoxicants. Epigenetic mechanisms such as DNA methylation act at the interface of genetic and environmental factors implicated in autism‐spectrum disorders. The relationship between POP levels and DNA methylation patterns in individuals with and without neurodevelopmental disorders has not been previously investigated. In this study, a total of 107 human frozen postmortem brain samples were analyzed for eight PCBs and seven PBDEs by GC‐micro electron capture detector and GC/MS using negative chemical ionization. Human brain samples were grouped as neurotypical controls (n = 43), neurodevelopmental disorders with known genetic basis (n = 32, including Down, Rett, Prader‐Willi, Angelman, and 15q11‐q13 duplication syndromes), and autism of unknown etiology (n = 32). Unexpectedly, PCB 95 was significantly higher in the genetic neurodevelopmental group, but not idiopathic autism, as compared to neurotypical controls. Interestingly, samples with detectable PCB 95 levels were almost exclusively those with maternal 15q11‐q13 duplication (Dup15q) or deletion in Prader‐Willi syndrome. When sorted by birth year, Dup15q samples represented five out of six of genetic neurodevelopmental samples born after the 1976 PCB ban exhibiting detectable PCB 95 levels. Dup15q was the strongest predictor of PCB 95 exposure over age, gender, or year of birth. Dup15q brain showed lower levels of repetitive DNA methylation measured by LINE‐1 pyrosequencing, but methylation levels were confounded by year of birth. These results demonstrate a novel paradigm by which specific POPs may predispose to genetic copy number variation of 15q11‐q13. Environ. Mol. Mutagen., 2012. © 2012 Wiley Periodicals, Inc.
Characterization of unstable microsatellites in mice: No evidence for germline mutation induction following gamma‐radiation exposure
Authors: Beal Marc A. , Glenn Travis C. , Lance Stacey L. , Somers Christopher M.
Published: August 2012

Large tandem repeat DNA loci such as expanded simple tandem repeats and minisatellites are efficient markers for detecting germline mutations; however, mutation detection using these loci can be imprecise and difficult to standardize across labs. Short‐tandem repeats, such as microsatellites, offer more precise and high‐throughput mutation detection, but germline mutation induction at these loci has not yet been studied in model organisms such as mice. In this study, we used microsatellite enrichment and large‐scale DNA sequencing of several closely related inbred mouse lines to identify a panel of 19 polymorphic microsatellites with potentially high spontaneous mutation frequencies. We used this panel and four additional loci from other sources to quantify spontaneous mutation frequency in pedigrees of outbred Swiss‐Webster mice. In addition, we also examined mutation induction in families in which sires were treated with acute doses of either 0.5 Gy or 1.0 Gy gamma‐irradiation to spermatogonial stem cells. Per locus mutation frequencies ranged from 0 to 5.03 × 10−3. Considering only the 11 loci with mutations, the mutation frequencies were: control 2.78 × 10−3, 0.5 Gy 4.09 × 10−3, and 1.0 Gy 1.82 × 10−3. There were no statistically significant changes in mutation frequencies among treatment groups. Our study provides the first direct quantification of microsatellite mutation frequency in the mouse germline, but shows no evidence for mutation induction at pre‐meiotic male germ cells following acute gamma‐irradiation. Further work using the panel is needed to examine mutation induction at different doses of radiation, exposure durations, and stages during spermatogenesis. Environ. Mol. Mutagen., 2012. © 2012 Wiley Periodicals, Inc.
Emotions in Eating Disorders: Changes of Anger Control After an Emotion‐focused Day Hospital Treatment
Authors: Abbate‐Daga Giovanni , Marzola Enrica , Gramaglia Carla , Brustolin Annalisa , Campisi Stefania , De‐Bacco Carlotta , Amianto Federico , Fassino Secondo
Published: August 2012

Objective

Emotional states are key elements of eating disorders (EDs), with anger and aggressiveness playing an important role. This study aimed to investigate anger features in ED patients before and after an intensive day hospital (DH) specifically focused on emotions.

Method

Forty‐one ED patients were admitted to our DH, which specifically includes emotion‐focused activities. They completed self‐reported questionnaires at the beginning and after the intervention: Eating Disorders Inventory‐2, State‐Trait Anger Expression Inventory (STAXI) and Beck Depression Inventory (BDI).

Results

Anger Control (Axcon) subscale of STAXI decreased significantly, and both BDI and body mass index – in case of underweight patients – significantly improved after completion of DH. Axcon decrease correlated with BMI improvement. The majority of individuals showing good outcome reported also a significant improvement in Axcon levels.

Discussion

This study provided preliminary data about the effectiveness – mainly in anger coping – of an emotion‐focused DH. Copyright © 2012 John Wiley & Sons, Ltd and Eating Disorders Association.
Chronic hydrocarbon exposure of harlequin ducks in areas affected by the Selendang Ayu oil spill at Unalaska Island, Alaska
Authors: Flint Paul L. , Schamber Jason L. , Trust Kimberly A. , Miles A. Keith , Henderson John D. , Wilson Barry W.
Published: August 2012

We evaluated chronic exposure of harlequin ducks (Histrionicus histrionicus) to hydrocarbons associated with the 2004 M/V Selendang Ayu oil spill at Unalaska Island, Alaska. We measured levels of hepatic 7-ethoxyresorufin-O-deethylase activity (EROD) in liver biopsy samples as an indicator of hydrocarbon exposure in three oiled bays and one reference bay in 2005, 2006, and 2008. Median EROD activity in ducks from oiled bays was significantly higher than in the reference bay in seven of nine pairwise comparisons. These results indicated that harlequin ducks were exposed to lingering hydrocarbons more than three years after the spill. Environ. Toxicol. Chem. 2012; 31: 2828–2831. © 2012 SETAC
The fate of lead at abandoned and active shooting ranges in a boreal pine forest
Authors: Selonen Salla , Liiri Mira , Strömmer Rauni , Setälä Heikki
Published: August 2012

Changes in leaching, availability, bioaccumulation, and vertical distribution of lead (Pb) in soil 20 years after the cessation of shooting activity were studied by comparing three pine forest sites in southern Finland: an active shooting range, an abandoned shooting range, and a noncontaminated control site. At both shooting ranges, shooting activity had lasted for 20 years, but it had taken place 20 years earlier at the abandoned range. Up to 4 kg m−2 of Pb pellets had accumulated in the soil at both shooting ranges, and extremely high Pb concentrations, reaching 50,000 mg kg−1, were detected in the organic soil layer. Elevated Pb concentrations were also found in leachate waters and in the biota. Concentrations of Pb in the top organic soil layer and in some of the biota were lower at the abandoned shooting range, which can be taken as a sign of starting recovery of the forest ecosystem. However, the concentration of water-extractable Pb had not decreased in the topsoil, possibly indicating the release of Pb from decaying litter. Deeper in the organic soil layer, weathering of Pb pellets enhanced Pb availability and leaching, indicating an increased risk of groundwater contamination over time at shooting sites located above aquifers. Environ. Toxicol. Chem. 2012; 31: 2771–2779. © 2012 SETAC
SVM‐Based Generalized Multifactor Dimensionality Reduction Approaches for Detecting Gene‐Gene Interactions in Family Studies
Authors: Fang Yao‐Hwei , Chiu Yen‐Feng
Published: August 2012

Gene‐gene interaction plays an important role in the etiology of complex diseases, which may exist without a genetic main effect. Most current statistical approaches, however, focus on assessing an interaction effect in the presence of the gene's main effects. It would be very helpful to develop methods that can detect not only the gene's main effects but also gene‐gene interaction effects regardless of the existence of the gene's main effects while adjusting for confounding factors. In addition, when a disease variant is rare or when the sample size is quite limited, the statistical asymptotic properties are not applicable; therefore, approaches based on a reasonable and applicable computational framework would be practical and frequently applied. In this study, we have developed an extended support vector machine (SVM) method and an SVM‐based pedigree‐based generalized multifactor dimensionality reduction (PGMDR) method to study interactions in the presence or absence of main effects of genes with an adjustment for covariates using limited samples of families. A new test statistic is proposed for classifying the affected and the unaffected in the SVM‐based PGMDR approach to improve performance in detecting gene‐gene interactions. Simulation studies under various scenarios have been performed to compare the performances of the proposed and the original methods. The proposed and original approaches have been applied to a real data example for illustration and comparison. Both the simulation and real data studies show that the proposed SVM and SVM‐based PGMDR methods have great prediction accuracies, consistencies, and power in detecting gene‐gene interactions.
The more basic isoform of eEF1A relates to tumour cell phenotype and is modulated by hyper‐proliferative/differentiating stimuli in normal lymphocytes and CCRF‐CEM T‐lymphoblasts
Authors: Scaggiante Bruna , Dapas Barbara , Pozzato Gabriele , Grassi Gabriele
Published: August 2012

The elongation factor 1A proteins (eEF1A1/A2) are known to play a role in tumours. We previously found that a more basic isoform of eEF1A (MBI‐eEF1A) is present in the cytoskeletal/nuclear‐enriched extracts of CCRF‐CEM T‐lymphoblasts but not in those of normal lymphocytes. To obtain deeper knowledge about MBI‐eEF1A biology, we investigate from which of the eEF1A proteins, eEF1A1 or eEF1A2, MBI‐eEF1A originates and the possibility that its appearance can be modulated by the differentiated or proliferative cell status. CCRF‐CEM T‐lymphoblasts and normal lymphocytes were cultured with or without differentiation/pro‐proliferative stimuli (Phorbol 12‐Myristate 13‐Acetate (PMA) alone or the combination of phytohaemagglutinin (PHA) with PMA, respectively), and the presence of MBI‐eEF1A evaluated together with that of the eEF1A1/A2 mRNAs. Our data indicate that the MBI‐eEF1A may derive from eEF1A1 as eEF1A2 is not expressed in CCRF‐CEM and normal lymphocytes. Moreover, MBI‐eEF1A is inducible in normal lymphocytes upon hyper‐proliferative stimuli application; in CCRF‐CEM, its presence can be abrogated by PMA‐induced differentiation. Finally, MBI‐eEF1A may have a functional role in hyper‐proliferating/tumour cells as its disappearance reduces the growth of CCRF‐CEM and that of PHA/PMA‐stimulated lymphocytes. The presented data suggest that MBI‐eEF1A may be related to oncogenic cell phenotype, rising the possibility to use MBI‐eEF1A as target for novel therapeutic strategies. Copyright © 2012 John Wiley & Sons, Ltd.
Evaluation of various relationships of reaeration rate coefficient for modeling dissolved oxygen in a river with extreme flow variations in Pakistan
Authors: Haider Husnain , Ali Waris , Haydar Sajjad
Published: August 2012

Mathematical relationships have been developed for reaeration rate coefficient (Ka) by various researchers. These relationships have a number of variables such as depth, velocity, width, slope, Froud number, molecular diffusion coefficient, kinematic viscosity and the gas‐transfer Reynolds number. From these variables, 29 relations have been developed and divided into four groups. To evaluate their predictive capability for highly variable flow rivers receiving high pollution loads form large cities, these relationships have been used to model dissolved oxygen (DO) in the River Ravi. Such rivers are either saturated with DO during high flows or anaerobic during critical low‐flow conditions. The evaluation is based on the agreement between model DO values calculated using Ka obtained from the available equations and the measured DO concentrations in the river samples in terms of sum of square of residuals (SSR) and coefficient of determination (R2). It has been found that in general, the group of equations containing depth and velocity as the only two variables affecting Ka performed better than the equations in other groups as reflected by lower SSR and higher R2 values. The study results also reveal that the turbulence‐based reaeration rate coefficient equation containing additional variables also resulted in close agreement between DO model results and the measured values. The study results identify the most important parameters affecting the reaeration rate coefficient and the suitability of various Ka relationships as well for rivers with highly variable flows. Copyright © 2012 John Wiley & Sons, Ltd.
A molecular imaging analysis of Cx43 association with Cdo during skeletal myoblast differentiation
Authors: Nosi Daniele , Mercatelli Raffaella , Chellini Flaminia , Soria Silvia , Pini Alessandro , Formigli Lucia , Quercioli Franco
Published: August 2012

Cell‐to‐cell contacts are crucial for cell differentiation. The promyogenic cell surface protein, Cdo, functions as a component of multiprotein clusters to mediate cell adhesion signaling. Connexin 43, the main connexin forming gap junctions, also plays a key role in myogenesis. At least part of its effects is independent of the intercellular channel function, but the mechanisms underlying are unknown. Here, using multiple optical approaches, we provided the first evidence that Cx43 physically interacts with Cdo to form dynamic complexes during myoblast differentiation, offering clues for considering this interaction a structural basis of the channel‐independent function of Cx43. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Laser‐driven beam lines for delivering intensity modulated radiation therapy with particle beams
Authors: Hofmann Kerstin M. , Schell Stefan , Wilkens Jan J.
Published: August 2012

Laser‐accelerated particles are a promising option for radiation therapy of cancer by potentially combining a compact, cost‐efficient treatment unit with the physical advantages of charged particle beams. To design such a treatment unit we consider different dose delivery schemes and analyze the necessary devices in the required particle beam line for each case. Furthermore, we point out that laser‐driven treatment units may be ideal tools for motion adaptation during radiotherapy. Reasons for this are the potential of a flexible gantry and the time structure of the beam with high particle numbers in ultrashort bunches. One challenge that needs to be addressed is the secondary radiation produced in several beam line elements. (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Applications of ultrasensitive wavelength‐modulated differential photothermal radiometry to noninvasive glucose detection in blood serum
Authors: Guo Xinxin , Mandelis Andreas , Zinman Bernard
Published: August 2012

Wavelength‐Modulated Differential Laser Photothermal Radiometry (WM‐DPTR) has been designed for noninvasive glucose measurements in the mid‐infrared (MIR) range. Glucose measurements in human blood serum in the physiological range (20–320 mg/dl) with predicted error <10.3 mg/dl demonstrated high sensitivity and accuracy to meet wide clinical detection requirements, ranging from hypoglycemia to hyperglycemia. The glucose sensitivity and specificity of WM‐DPTR stem from the subtraction of the simultaneously measured signals from two excitation laser beams at wavelengths near the peak and the baseline of the strongest interference‐free glucose absorption band in the MIR range. It was found that the serum glucose sensitivity and measurement precision strongly depend on the tunability and stability of the intensity ratio and the phase shift of the two laser beams. This level of accuracy was favorably compared to other MIR techniques. WM‐DPTR has shown excellent potential to be developed into a clinically viable noninvasive glucose biosensor. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Continuous symmetry analyses: Cnv and Dn measures of molecules, complexes, and proteins
Authors: Pinsky Mark , Zait Amir , Bonjack Maayan , Avnir David
Published: August 2012

The continuous symmetry methodology has been developed to provide a quantitative estimation for the degree of a selected symmetry point‐group in a molecular structure. Previous developed measures included the CS, Cn, Sn (including Ci) symmetries, several polyhedral symmetries, and the related chirality measure. Motivated by the abundance and importance of Cnv symmetry in many key molecules and by the abundance of Dn symmetry in many organometallic complexes and in many protein clusters, measures for these symmetries, based on the general definition of the continuous symmetry measure, were developed. Detailed description of the derivation of the measures, along with plenty of examples for their application, is provided. © 2012 Wiley Periodicals, Inc.
(ω‐2,ω‐2,ω‐3,ω‐3)‐Tetradeuterio‐fatty acids for mechanistic studies of enzyme‐catalyzed hydroxylation reactions
Authors: Horner John H. , Newcomb Martin
Published: August 2012

Among the thousands of cytochrome P450 enzymes known, many selectively hydroxylate the hydrocarbon tail of fatty acids at the terminal (ω) position and the ω‐1, ω‐2, and ω‐3 positions. A general method for synthesis of (ω‐2,ω‐2,ω‐3,ω‐3)‐tetradeuterio‐fatty acids that can be used in mechanistic studies of cytochromes P450 is illustrated by the synthesis of 9,9,10,10‐tetradueteriododecanoic (lauric) acid and 13,13,14,14‐tetradeuteriohexadecanoic (palmitic) acid. Deuterium is introduced early in the synthesis by reduction of the THP ether of 4‐heptyn‐1‐ol with deuterium gas to give a common labeled intermediate, 4,4,5,5‐tetradeuterioheptan‐1‐ol. This alcohol is converted to the corresponding tosylate that is used to alkylate O‐protected (ω‐1)‐alkyn‐1‐ols to give, eventually, long‐chain alcohols that are oxidized to the corresponding fatty acids. An important experimental detail is that relatively large amounts of Wilkinson's catalyst were used to limit isotopic scrambling. Copyright © 2012 John Wiley & Sons, Ltd.
Imaging agents for myeloperoxidase
Authors: Malmquist Jonas , Bernlind Alexandra , Johansson Maria , Juréus Anders , Nilsson Maria
Published: August 2012

The myeloperoxidase (MPO) inhibitors 1 and 2 were prepared as their isotopologues with carbon‐14, carbon‐13, and nitrogen‐15 or tritium with high specific activity and purity. Starting from potassium [14C]cyanide or [14C]formate provided metabolically stable 14C‐labels on [14C]‐1 and [14C]‐2. Catalytic hydrogenation was used for the preparation of [3H]‐2, giving multiple enriched positions as shown by 3H NMR. 1 and 2 are promising in vitro and in vivo imaging radioligands and have the potential to provide key information with regard to MPO expression, function, stoichiometry, and pharmacology.
Morphology of the Daphnia nervous system: A comparative study on Daphnia pulex, Daphnia lumholtzi, and Daphnia longicephala
Authors: Weiss Linda C. , Tollrian Ralph , Herbert Zsofia , Laforsch Christian
Published: August 2012

The freshwater crustacean Daphnia is well known for its phenotypic plasticity, in which environmental cues are perceived by the nervous system and transformed into phenotypic adaptations beneficial under current conditions. Critical knowledge regarding the distribution and localization of neuronal antigens or neurotransmitters and differentially expressed proteins is sparse. Here, we applied immunohistochemical and histological‐staining methods in combination with confocal laser scanning microscopy on whole mount preparations in Daphnia pulex, Daphnia longicephala, and Daphnialumholtzi. We document the nervous system, elements of the sensory system, and cell clusters with secretory characteristics in the Daphnia head. This is the first report on the nervous system of the species D.longicephala and D.lumholtzi. The methods established in this investigation will help to foster research on specific neuronal mechanisms in this rapidly advancing model system of life science research. J. Morphol., 2012. © 2012 Wiley Periodicals, Inc.
Orthopedic wear debris mediated inflammatory osteolysis is mediated in part by NALP3 inflammasome activation
Authors: Burton Lyndsey , Paget Daniel , Binder Nikolaus B. , Bohnert Krista , Nestor Bryan J. , Sculco Thomas P. , Santambrogio Laura , Ross F. Patrick , Goldring Steven R. , Purdue P. Edward
Published: August 2012

Activation of myeloid cells by orthopedic particulate debris is a key event in the pathogenesis of periprosthetic osteolysis and implant loosening after total joint replacement (TJR). Several lines of evidence implicate NACHT, LRR, and PYD domains‐containing protein 3 (NALP3) inflammasome‐mediated production of interleukin 1 beta (IL‐1β) in the pathogenesis of clinical disorders ascribable to foreign particulate materials, including asbestos, silica, and urate crystals. Recent reports indicate that orthopedic polymer products and metallic particulates and ions may activate the same pathway. Here, we investigated the contribution of the NALP3 inflammasome to the pathogenesis of peri‐implant osteolysis. Pharmaceutical and genetic perturbations of caspase‐1 and inflammasome components were used to assess the role of the NALP3 inflammasome in IL‐1β production and osteoclast formation by human monocytes and mouse macrophages in response to polymethylmethacrylate (PMMA) particle phagocytosis. The role of caspase‐1 in a mouse calvarial model of particle‐mediated osteolysis was assessed using µCT. Phagocytosis of PMMA particles induces caspase‐1 dependent release of IL‐1β from human monocytes and mouse macrophages. Importantly, using macrophages from mice deficient in components of the NALP3 inflammasome, we show PMMA‐induced IL‐1β production is strictly dependent on these components. Mice lacking caspase‐1, the sole effector of the NALP3 inflammasome, show reduced orthopedic wear particle‐induced calvarial osteolysis compared to wild‐type controls. Absence of NALP3 inflammasome components fails to alter osteoclast formation in vitro. Our findings identify the NALP3 inflammasome as a critical mediator of orthopedic wear‐induced osteolysis and as a viable therapeutic target for the treatment of periprosthetic osteolysis. © 2012 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 31:73–80, 2012
Laparoscopic transabdominal lateral adrenalectomy
Authors: Bickenbach Kai A. , Strong Vivian E.
Published: August 2012

Laparoscopic adrenalectomy is a mainstay of operative options for adrenal tumors and allows surgeons to perform adrenalectomies with less morbidity, less post‐operative pain, and shorter hospital stays. The literature has demonstrated its efficacy to be equal to open adrenalectomy in most cases. With regard to malignant primary and metastatic lesions, controversy still remains, however, consideration of a laparoscopic approach for smaller, well circumscribed and non‐invasive lesions is reasonable. During any laparoscopic resection, when there is doubt about the ability to safely remove the lesion with an intact capsule, conversion to an open approach should be considered. The primary goal of a safe and complete oncologic resection cannot be compromised. For most benign lesions, laparoscopic approaches are safe and feasible and conversion to an open approach is necessary only for lesions where size limits the ability of a minimally invasive resection. J. Surg. Oncol. 2012; 106:611–618. © 2012 Wiley Periodicals, Inc.
Monomers for Adhesive Polymers, 10‐Synthesis, Radical Photopolymerization and Adhesive Properties of Methacrylates Bearing Phosphonic Acid Groups
Authors: Catel Yohann , Fischer Urs Karl , Moszner Norbert
Published: August 2012

Syntheses of eight novel methacrylates bearing phosphonic acid groups were synthesized in three to five steps. The interaction of these monomers with hydroxyapatite was investigated using 13C‐NMR spectroscopy. Free radical homopolymerizations were carried out in a mixture ethanol/water (2.5/1, v/v) using 2,2′azo(2‐methylpropionamidine) dihydrochloride as initiator. The copolymerization of these monomers with a mixture HEMA/GDMA (5/3, mol/mol) was investigated by photo‐DSC. Dentin shear bond strength measurements showed that 2‐methacryloyloxy‐3‐(1,1,2,2‐tetrafluoroethoxy)propylphosphonic acid 4b, 2,3‐dimethacryloyloxypropylphosphonic acid 18 and 3‐(methacryloyloxy)‐2,2‐(di[(dihydroxyphosphoryl)methyl])propyl methacrylate 23 are promising candidates for dental adhesives.

magnified image
HMBC‐1,1‐ADEQUATE via generalized indirect covariance: a high sensitivity alternative to n,1‐ADEQUATE
Authors: Martin Gary E. , Thomas Williamson R. , Blinov Kirill A. , Anklin Clemens G. , Bermel Wolfgang
Published: August 2012

1,1‐ADEQUATE and the related long‐range 1,n‐ and n,1‐ADEQUATE variants were developed to provide an unequivocal means of establishing 2JCH and the equivalent of nJCH correlations where n = 3,4. Whereas the 1,1‐ and 1,n‐ADEQUATE experiments have two simultaneous evolution periods that refocus the chemical shift and afford net single quantum evolution for the carbon spins, the n,1‐variant has a single evolution period that leaves the carbon spin to be observed at the double quantum frequency. The n,1‐ADEQUATE experiment begins with an HMBC‐type nJCH magnetization transfer, which leads to inherently lower sensitivity than the 1,1‐ and 1,n‐ADEQUATE experiments that begin with a 1JCH transfer. These attributes, in tandem, serve to render the n,1‐ADEQUATE experiment less generally applicable and more difficult to interpret than the 1,n‐ADEQUATE experiment, which can in principle afford the same structural information. Unsymmetrical and generalized indirect covariance processing methods can complement and enhance the structural information encoded in combinations of experiments e.g. HSQC‐1,1‐ or −1,n‐ADEQUATE. Another benefit is that covariance processing methods offer the possibility of mathematically combining a higher sensitivity 2D NMR spectrum with for example 1,1‐ or 1,n‐ADEQUATE to improve access to the information content of lower sensitivity congeners. The covariance spectrum also provides a significant enhancement in the F1 digital resolution. The combination of HMBC and 1,1‐ADEQUATE spectra is shown here using strychnine as a model compound to derive structural information inherent to an n,1‐ADEQUATE spectrum with higher sensitivity and in a more convenient to interpret single quantum presentation. Copyright © 2012 John Wiley & Sons, Ltd.
Relationship between cyclic AMP‐dependent protein tyrosine phosphorylation and extracellular calcium during hyperactivation of boar spermatozoa
Authors: Harayama Hiroshi , Noda Taichi , Ishikawa Shou , Shidara Osamu
Published: August 2012

In mammalian spermatozoa, the state of protein tyrosine phosphorylation is modulated by protein tyrosine kinases and protein tyrosine phosphatases that are controlled via cyclic AMP (cAMP)‐protein kinase A (PKA) signaling cascades. The aims of this study were to examine the involvement of cAMP‐induced protein tyrosine phosphorylation in response to extracellular calcium and to characterize effects of pharmacological modulation of the cAMP‐induced protein phosphorylation state and calmodulin activity during hyperactivation in boar spermatozoa. Ejaculated spermatozoa were incubated with cBiMPS (a cell‐permeable cAMP analog) and CaCl2 at 38.5°C to induce hyperactivation, and then used for Western blotting and indirect immunofluorescence of phosphorylated proteins and for the assessment of motility. Both cBiMPS and CaCl2 were necessary for hyperactivation. The increase in hyperactivated spermatozoa exhibited a dependence on the state of cBiMPS‐induced protein tyrosine phosphorylation in the connecting and principal pieces. The addition of calyculin A (an inhibitor for protein phosphatases 1/2A (PP1/PP2A), 50–100 nM) coincidently promoted hyperactivation and cAMP‐induced protein tyrosine phosphorylation in the presence of cBiMPS and CaCl2. Moreover, the addition of W‐7 (a calmodulin antagonist, 2–4 µM) enhanced the percentages of hyperactivated spermatozoa after incubation with cBiMPS and CaCl2, independently of protein tyrosine phosphorylation. These findings indicate that cAMP‐induced protein tyrosine phosphorylation in the connecting and principal pieces is involved in hyperactivation in response to extracellular calcium, and that calmodulin may suppress hyperactivation via the signaling cascades that are independent of cAMP‐induced protein tyrosine phosphorylation. Mol. Reprod. Dev. 79: 727–739, 2012. © 2012 Wiley Periodicals, Inc.
Models and algorithms for shuffling problems in steel plants
Authors: Tang Lixin , Zhao Ren , Liu Jiyin
Published: August 2012

In this article, we study item shuffling (IS) problems arising in the logistics system of steel production. An IS problem here is to optimize shuffling operations needed in retrieving a sequence of steel items from a warehouse served by a crane. There are two types of such problems, plate shuffling problems (PSP) and coil shuffling problems (CSP), considering the item shapes. The PSP is modeled as a container storage location assignment problem. For CSP, a novel linear integer programming model is formulated considering the practical stacking and shuffling features. Several valid inequalities are constructed to accelerate the solving of the models. Some properties of optimal solutions of PSP and CSP are also derived. Because of the strong NP‐hardness of the problems, we consider some special cases of them and propose polynomial time algorithms to obtain optimal solutions for these cases. A greedy heuristic is proposed to solve the general problems and its worst‐case performances on both PSP and CSP are analyzed. A tabu search (TS) method with a tabu list of variable length is proposed to further improve the heuristic solutions. Without considering the crane traveling distance, we then construct a rolling variable horizon heuristic for the problems. Numerical experiments show that the proposed heuristic algorithms and the TS method are effective. © 2012 Wiley Periodicals, Inc. Naval Research Logistics, 2012
Interchange fee rate, merchant discount rate, and retail price in a credit card network: A game‐theoretic analysis
Authors: Guo Hangfei , Leng Mingming , Wang Yulan
Published: August 2012

We consider two game‐theoretic settings to determine the optimal values of an issuer's interchange fee rate, an acquirer's merchant discount rate, and a merchant's retail price in a credit card network. In the first setting, we investigate a two‐stage game problem in which the issuer and the acquirer first negotiate the interchange fee rate, and the acquirer and the retailer then determine their merchant discount rate and retail price, respectively. In the second setting, motivated by the recent US bill “H.R. 2695,” we develop a three‐player cooperative game in which the issuer, the acquirer, and the merchant form a grand coalition and bargain over the interchange fee rate and the merchant discount rate. Following the cooperative game, the retailer makes its retail pricing decision. We derive both the Shapley value‐ and the nucleolus‐characterized, and globally‐optimal unique rates for the grand coalition. Comparing the two game settings, we find that the participation of the merchant in the negotiation process can result in the reduction of both rates. Moreover, the stability of the grand coalition in the cooperative game setting may require that the merchant should delegate the credit card business only to the issuer and the acquirer with sufficiently low operation costs. We also show that the grand coalition is more likely to be stable and the U.S. bill “H.R. 2695” is thus more effective, if the degree of division of labor in the credit card network is higher as the merchant, acquirer, and issuer are more specialized in the retailing, acquiring, and issuing operations, respectively. © 2012 Wiley Periodicals, Inc. Naval Research Logistics, 2012