bluuebunny/crossref_metadata_2025 huggingface dataset:
Medical reversal of chronic sinusitis in a cystic fibrosis patient with ivacaftor
Authors: Chang Eugene H. , Tang Xiao Xiao , Shah Viral S. , Launspach Janice L. , Ernst Sarah E. , Hilkin Brieanna , Karp Philip H. , Abou Alaiwa Mahmoud H. , Graham Scott M. , Hornick Douglas B. , Welsh Michael J. , Stoltz David A. , Zabner Joseph
Published: October 2014

Background

Chronic sinusitis is universal in cystic fibrosis (CF) and our current treatments are ineffective in reversing sinus disease. The objective of this work was to determine if increasing CF transmembrane conductance regulator (CFTR) activity by ivacaftor could treat CF sinus disease and assess its effect on primary sinus epithelial cultures.

Methods

Case report of 1 patient with long‐standing chronic sinus disease and a new diagnosis of CF with a mild mutation (P205S) and a severe mutation (G551D). We discuss clinical changes in symptoms, radiographic findings, nasal potential difference testing, and nasal pH values before and after treatment with ivacaftor. We then developed primary sinonasal epithelial cell cultures from a biopsy of the patient to determine changes in airway surface liquid (ASL) pH and ASL viscosity after ivacaftor treatment.

Results

Ivacaftor treatment reversed CT findings of CF sinus disease, increased nasal voltage and pH, and resolved sinus symptoms after 10 months of therapy. Ivacaftor significantly increased ASL pH and decreased ASL viscosity in primary airway cultures.

Conclusion

This report documents the reversal of CF sinus disease. Based on our in vivo and in vitro results, we speculate that ivacaftor may reverse CF sinusitis by increasing ASL pH and decreasing ASL viscosity. These studies suggest that CFTR modulation may be effective in treating CF and perhaps non‐CF sinusitis.
Temporal lobe impairment in West syndrome: Event‐related potential evidence
Authors: Werner Klaus , Fosi Tangunu , Boyd Stewart G. , Baldeweg Torsten , Scott Rod C. , Neville Brian G.
Published: November 2014

Objective

This study investigates auditory processing in infants with West syndrome (WS) using event‐related potentials (ERPs).

Methods

ERPs were measured in 25 infants with mainly symptomatic WS (age range = 3–10 months) and 26 healthy term infants (age range = 3–9 months) using an auditory novelty oddball paradigm. The ERP recordings were made during wakefulness and repeated in stage II sleep.

Results

The obligatory components (P150, N250, P350) and novelty response components (P300, Nc) were recordable during both sleep and wakefulness in patients and controls. All ERP latencies decreased with age in controls but not in the WS group (age × group interaction, F = 22.3, p < 0.0001). These ERP latency alterations were not affected by pharmacological treatment for WS.

Interpretation

This study demonstrated a persistently altered ERP signature in patients with a recent history of infantile spasms. The prolongation of auditory obligatory and novelty ERPs in WS patients indicates a severe failure of temporal lobe maturation during infancy. It remains to be investigated whether this predicts long‐term cognitive impairments characteristic for this epileptic encephalopathy. ANN NEUROL 2015;77:47–57
Eine mehrfach funktionalisierte Basen‐koordinierte GeII‐Verbindung und ihre reversible Dimerisierung zum Digermen
Authors: Jana Anukul , Huch Volker , Rzepa Henry S. , Scheschkewitz David
Published: October 2014

Stabile Verbindungen mit GeGe‐Bindung werden üblicherweise unter relativ harschen Reaktionsbedingungen hergestellt, die mit vielen funktionellen Gruppen inkompatibel sind. Insbesondere werden ungesättigte Funktionalitäten wegen ihrer hohen Reaktivität gegenüber niedrigkoordinierten Germaniumverbindungen nicht toleriert. Wir berichten nun über die Synthese einer iminofunktionalisierten, durch Koordination eines N‐heterocyclischen Carbens (NHC) stabilisierten Germanium(II)‐Spezies durch Reaktion eines Isonitrils mit einem schweren NHC‐koordinierten Vinyliden. Die Entfernung des NHC mit einer Lewis‐Säure resultiert in Dimerisierung zum entsprechenden Digermen mit GeGe‐Bindung. Die Reversibilität dieses Prozesses wird durch Zugabe von zwei Äquivalenten NHC zum isolierten Digermen nachgewiesen.
A Multiply Functionalized Base‐Coordinated GeII Compound and Its Reversible Dimerization to the Digermene
Authors: Jana Anukul , Huch Volker , Rzepa Henry S. , Scheschkewitz David
Published: October 2014

Stable compounds with a GeGe bond are usually prepared under relatively harsh reaction conditions that are incompatible with many functional groups. In particular, unsaturated functionalities are not tolerated owing to their facile reaction with low‐coordinate germanium compounds. We now report the synthesis of an imino‐functionalized germanium(II) species, stabilized by coordination of an N‐heterocyclic carbene (NHC), by reaction of an isonitrile with a heavier NHC‐coordinated vinylidene. Removal of the NHC by a Lewis acid results in dimerization to the corresponding digermene with a GeGe bond. The reversibility of this process is demonstrated by addition of two equivalents of NHC to the isolated digermene.
Synergistic effect of dopant combination and switchover in formation mechanism of polyaniline nanowire
Authors: Bhandari Subhendu , Khastgir Dipak
Published: October 2014

Self‐assembled polyaniline (PAni) was synthesized electrochemically in dimethylformamide medium to study the effect of simultaneous use of organic–inorganic dopant combination in aprotic polar synthesis medium. During the synthesis process, simultaneous dual doping was performed using p‐toluenesulfonic acid and sulfuric acid with varying the ratio of the dopants keeping their total concentration unchanged. Nanowire meshes were formed where switchover in nanostructure formation is observed. Nanowire in individually doped PAni was formed with directional joining of smaller nanoparticles or from multilayered tubular nanostructures whereas, for dual doped PAni, either of these two was observed. Periodicity parallel and perpendicular to polymer chain were found in well correlation with diameter of nanowires. Synergistic improvements in AC conductivity, specific capacitance, and thermal degradation within certain temperature range were observed in particular ratio of the dopants. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 41520.
Development of dense films from Melia azedarach polysaccharides
Authors: Masuelli Martín A. , García M. Guadalupe , Marchese José , Ochoa Nelio A.
Published: November 2014

The aim of this work was to prepare dense films from polysaccharides extracted from Melia azedarach (MA) to be used e.g. in agricultural industry. Crosslinking of MA films with glutaraldehyde (Glu) through immersion method were performed. Structural features of films were elucidated by FTIR and XRD analysis. The influence of crosslinking in mechanical properties, water uptake and water vapor permeation was evaluated. Results showed neat Melia azedarach film presented high elongation and elastic modulus. Hydroxyl functional groups present in MA were reacted with glutaraldheyde to render a crosslinked matrix. It was observed through FTIR analysis that OH band reduces intensity due to the formation of acetal linkage, as the crosslinking time increases. XRD evidenced structural changes in MA arrangement with the crosslinking time. Chemical crosslinking during 12 h and 24 h rendered insoluble but less deformable films. Water uptake and water vapor permeability were reduced as the crosslinking time increased. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 41624.
A Template‐matching Approach Combining Morphometric Variables for Automated Mapping of Charcoal Kiln Sites
Authors: Schneider Anna , Takla Melanie , Nicolay Alexander , Raab Alexandra , Raab Thomas
Published: October 2014

Analysing the spatial distribution of anthropogenic relief structures can contribute to the understanding of past land‐use systems. With automated mapping routines, small relief forms can be detected efficiently from high‐resolution digital terrain models (DTMs). In this study, we describe an approach for the automated mapping of charcoal kiln sites from an airborne laser‐scanning DTM. The study site is located north of Cottbus, Germany, where an exceptionally large historic charcoal production field has been documented in previous archaeological surveys. The goal of this study was to implement, evaluate and improve an automated GIS‐based routine for mapping these features based on the template‐matching principle. In addition to the DTM, different morphometric variables were evaluated for their suitability to detect kiln sites. The mapping results were validated against a comprehensive database of kiln sites recorded from archaeological excavations and via manual digitization. The effects of irregular kiln‐site geometry and DTM noise were evaluated using synthetic DTMs. The results of the synthetic DTM mapping show that the template‐matching results differed depending on the morphometric variable used for the mapping process. In accordance with this observation, a validation of the mapping procedure for the field site suggests that feature mapping can be improved. In particular, the number of false detections can be reduced using a combination of morphometric variables. For the validation area, the kiln sites with diameters of at least 10 m were mapped using the automated routine, with detection rates that were close to those of manual digitization. Therefore, the described method can considerably facilitate the mapping and distribution analysis of kiln sites or similar small relief forms that are prominent in a specific landscape. Copyright © 2014 John Wiley & Sons, Ltd.
CORONA Photographs in Monsoonal Semi‐arid Environments: Addressing Archaeological Surveys and Historic Landscape Dynamics over North Gujarat, India
Authors: Conesa Francesc C. , Madella Marco , Galiatsatos Nikolaos , Balbo Andrea L. , Rajesh S. V. , Ajithprasad P.
Published: October 2014

Here we illustrate a ground map approach that uses orthorectified CORONA KH4B images and declassified topographical maps to study historical land‐use dynamics and to help planning archaeological survey in the monsoonal semi‐arid alluvial plains of North Gujarat, India. In spite of its generalized use in archaeological applications, CORONA photographs have rarely been used in Indian archaeological contexts. The methods discuss a cost‐effective and integrated protocol for: (i) obtaining ground control points (GCPs) and orthorectify CORONA photographs when very high‐resolution imagery or detailed topographic maps are not available; and (ii) evaluating the integration of declassified datasets into Google Earth Pro for addressing archaeological surveys in remote areas. The merging of CORONA imagery with declassified USA and the former USSR historical military maps provided a picture of the human–environment interaction in North Gujarat of the past 40 years, prior to the intense development of mechanical agriculture and regional irrigation channels. We conclude by identifying the human and climate‐induced taphonomical processes that are obliterating a fragile landscape characterized by archaeological scatters located in fossilized sand dunes. Copyright © 2014 John Wiley & Sons, Ltd.
Strategic Decision Making for the Triple Bottom Line
Authors: McWilliams Abagail , Parhankangas Annaleena , Coupet Jason , Welch Eric , Barnum Darold T.
Published: October 2014

Corporate social responsibility (CSR) has become a mandate for strategic managers and is often an important element of a differentiation strategy, but there is little research on how managers can make socially responsible decisions within the context of competitive strategy. In this study we explain how data envelopment analysis (DEA) results can be used to determine the trade‐offs inherent in managing the triple bottom line of profits, people and the planet. Once the trade‐offs are well understood, managers can implement sustainable competitive strategies that incorporate socially responsible decisions. Using public data from the electric power generation industry, we demonstrate how DEA can be utilized to determine the trade‐offs between efficiency, costs and pollution reduction, allowing managers to make and champion socially responsible decisions. We discuss the general applicability of our method for making strategic decisions incorporating the triple bottom line. Copyright © 2014 John Wiley & Sons, Ltd and ERP Environment
Coal Pyrolysis in a Laboratory‐Scale Two‐Stage Reactor: Catalytic Upgrading of Pyrolytic Vapors
Authors: Gong Xiaomin , Wang Ze , Li Songgeng , Song Wenli , Lin Weigang
Published: October 2014

In situ upgrading of coal pyrolysis vapors over Ce/Zr/Ni and Ce/Zr/Ni/Zn catalysts was studied in a two‐stage reactor. The catalytic effects of Ce/Zr/Ni and Ce/Zr/Ni/Zn on the pyrolysis products were examined, revealing that CO2, CO, and H2 were dramatically increased and pyrolytic water was decreased when using these catalysts. The tar collected in the cooling traps showed a slight increase after catalysis. Compared to the no‐catalyst condition, heterocyclic compounds and multicyclic aromatic hydrocarbons in the tar were significantly reduced, and benzene derivatives and aliphatics were increased. The molar ratio of H/C in tar was analyzed to further evaluate the tar quality. Possible reaction routes are proposed.
Preparation, Sedimentation, and Agglomeration of Nanofluids
Authors: Ilyas Suhaib Umer , Pendyala Rajashekhar , Marneni Narahari
Published: October 2014

Research on nanofluids has increased significantly in the last decade due to the distinctive potential in many applications such as enhanced heat transfer processes, drug delivery systems, and membrane manufacturing processes. The study of dispersion behavior of nanoparticles in liquids is a topic of keen interest towards the preparation of stable nanofluids. A comprehensive review on the recent progress in preparation and stability of nanofluids is presented. Settling of nanoparticles is the only predicament towards preparation of stable nanofluids which takes place due to formation of agglomerates. The settling behavior of nanoparticles in nanofluids and techniques to stop agglomeration are described. Nanofluid preparation techniques, assessment method of stability, and methods to reduce agglomeration are discussed.
An extended TODIM method for multiple attribute group decision‐making based on 2‐dimension uncertain linguistic Variable
Authors: Liu Peide , Teng Fei
Published: October 2014

The significant characteristic of the TODIM (an acronym in Portuguese of Interactive and Multiple Attribute Decision Making) method is that it can consider the bounded rationality of the decision makers. However, in the classical TODIM method, the rating of the attributes only can be used in the form of crisp numbers. Because 2‐dimension uncertain linguistic variables can easily express the fuzzy information, in this article, we extend the TODIM method to 2‐dimension uncertain linguistic information. First of all, the definition, characteristics, expectation, comparative method and distance of 2‐dimension uncertain linguistic information are introduced, and the steps of the classical TODIM method for Multiple attribute decision making (MADM) problems are presented. Second, on the basis of the classical TODIM method, the extended TODIM method is proposed to deal with MADM problems in which the attribute values are in the form of 2‐dimension uncertain linguistic variables, and detailed decision steps are given. Its significant characteristic is that it can fully consider the bounded rationality of the decision makers, which is a real action in real decision making. Finally, a numerical example is provided to verify the developed approach and its practicality and effectiveness. © 2014 Wiley Periodicals, Inc. Complexity 21: 20–30, 2016
Oceanic forces and their impact on the performance of mobile underwater acoustic sensor networks
Authors: Mandal Amit Kumar , Misra Sudip , Ojha Tamoghna , Dash Mihir Kumar , Obaidat Mohammad S.
Published: October 2014

This paper focuses on the performance analysis of Underwater Wireless Acoustic Sensor Networks (UWASNs) with passively mobile sensor nodes moving because of the influence of major oceanic forces. In an UWASN, passive node mobility is inevitable. Therefore, the performance analysis of UWASNs renders meaningful insights with the inclusion of a mobility model, which represents realistic oceanic scenarios. In this regard, the existing works on performance analysis of UWASNs lack the consideration of major dominating forces, which offer impetus for a node's mobility. Additionally, the existing works are limited to only shallow depths and coastal areas. Therefore, in this paper, we have proposed a physical mobility model, named Oceanic Forces Mobility Model, by incorporating important realistic oceanic forces imparted on nodes. The proposed model considers the effects of node mobility in 3‐D space of water. We also present an analysis on the impact of node mobility on the performance of UWASNs in terms of network dispersion and localization. Simulation results indicate performance degradation of UWASNs in the presence of oceanic forces—localization coverage decreases by 36.70%, localization error increases nearly by 21.14%, and average energy consumption increases by 3% approximately. Copyright © 2014 John Wiley & Sons, Ltd.
Emotion dysregulation and anorexia nervosa: An exploration of the role of childhood abuse
Authors: Racine Sarah E. , Wildes Jennifer E.
Published: October 2014

Objective

Theoretical models of emotion regulation difficulties in anorexia nervosa (AN) specify a role for factors that predispose to or precipitate emotion dysregulation. The current study considered whether childhood abuse (i.e., emotional, sexual, physical) might be related to emotion regulation difficulties and eating disorder symptom severity in patients with AN. Childhood abuse was hypothesized to relate to AN symptoms indirectly via emotion dysregulation.

Method

Participants were 188 patients with AN presenting to an intensive treatment facility. The Childhood Trauma Questionnaire, Difficulties in Emotion Regulation Scale, and Eating Disorder Examination were used to assess childhood abuse, emotion dysregulation, and AN symptom severity, respectively.

Results

Of the three forms of childhood abuse, reports of emotional abuse were most strongly related to emotion regulation difficulties and AN symptom severity. Mediation analyses revealed that emotion dysregulation significantly explained the relationship between childhood emotional abuse and AN symptomatology, and mediation effects did not differ by AN subtype (i.e., restricting vs. binge‐eating/purging).

Discussion

Findings provide initial support for a model in which childhood emotional abuse precipitates emotion dysregulation and the development of AN. Future studies with longitudinal designs and control groups are necessary to examine the direction and specificity of these cross‐sectional associations © 2014 Wiley Periodicals, Inc. (Int J Eat Disord 2015; 48:55–58)
A Robust and Efficient Catalyst Possessing an Electron‐Deficient Ligand for the Palladium‐Catalyzed Direct Arylation of Heteroarenes
Authors: Jakab Alexandra , Dalicsek Zoltán , Soós Tibor
Published: October 2014

The exploration of the direct arylation capacity of a unique, thermally stable, and air‐stable Pd0–phosphine catalyst is reported. Besides decisively contributing to catalyst robustness, the electron‐deficient trifluoromethyl‐substituted triphenylphosphine ligands make the palladium center more electron‐deficient and accelerate the direct arylation step. The combination of only 0.5–2 mol‐% of the catalyst and a substoichiometric quantity of pivalic acid generates an efficient system to promote biaryl‐forming reactions of a broad range of electronically varied hetarenes and aryl bromides. The observed regioselective arylations suggest that a concerted metalation–deprotonation pathway is involved in the C–H activation step.
Copper‐Catalyzed Regioselective Cross‐Dehydrogenative Coupling of Coumarins with Benzylic Csp3–H Bonds
Authors: Zhou Shi‐Liu , Guo Li‐Na , Duan Xin‐Hua
Published: October 2014

A new copper‐catalyzed regioselective cross‐dehydrogenative coupling of coumarins with benzylic Csp3–H bonds has been developed. This reaction provides direct access to a wide range of 3‐benzylcoumarins in moderate to good yields. The protocol was also extended successfully to other heterocyclic compounds, such as quinolinones.
Adsorptive Transfer Stripping for Quick Electrochemical Determination of microRNAs in Total RNA Samples
Authors: Bartosik M. , Hrstka R. , Palecek E. , Vojtesek B.
Published: October 2014

Electrochemical methods hold promise for fast and inexpensive determination of cancer biomarkers, including microRNAs playing an important role in regulation of gene expression. We developed a simple assay utilizing (i) microRNA labeling with osmium(VI) complexes, (ii) hybridization of microRNA with magnetic bead‐immobilized capture probe, and (iii) adsorptive transfer stripping (AdTS) technique in which working electrode is dipped into a microliter‐sized drop for direct adsorption of microRNA. Increased sensitivity and decreased sample consumption was achieved, and nanogram quantities of microRNA present in 500‐fold excess of total RNA were determined. Our results indicate only negligible interference during hybridization from other RNA molecules.
Increased expression of pyruvate carboxylase and biotin protein ligase increases lysine production in a biotin prototrophic Corynebacterium glutamicum strain
Authors: Wang Zhihao , Moslehi‐Jenabian Saloomeh , Solem Christian , Jensen Peter Ruhdal
Published: October 2014

Corynebacterium glutamicum, a Gram‐positive bacterium used for the production of various biochemicals, is naturally a biotin auxotroph. We introduced the biotin genes from Bacillus subtilis on a plasmid, pBIO, into a lysine‐producing derivative (termed AHP‐3) that has been described previously, and achieved biotin prototrophy. We found that AHP‐3, containing pBIO, was able to produce lysine in a medium lacking biotin and that the lysine yield on glucose was similar to what is obtained when using a medium containing biotin. However, there was a decrease in specific growth rate of 20% when the strain was cultivated without biotin, indicating a suboptimal intracellular concentration of biotin. In an attempt to locate the potential bottleneck, we added pimelic acid, an early biotin precursor, and found that growth rate could be restored fully, which demonstrates that the bottleneck is in pimeloyl‐CoA (or pimeloyl‐Acyl Carrier Protein [ACP]) formation. Pyruvate carboxylase (pycA), a biotin‐dependent enzyme needed for lysine biosynthesis and biotin ligase (birA), which is responsible for attaching biotin to pyruvate carboxylase, were overexpressed by replacing the native promoters with the strong superoxide dismutase (sod) promoter, to see whether growth could be restored. Neither pycA nor birA overexpression, whether alone or in combination, had an effect on specific growth rate, but they did have a positive effect on lysine yield, which increased by 55% in the strain overexpressing both enzymes.
Synergistic Hydrogen‐Donating Ability of Petroleum Distillates and Hydrogen During Noncatalytic Thermal Processing
Authors: Ji Shunfeng , Zhou Ying , Chen Kun , Wang Zongxian
Published: October 2014

Anthracene (ANT) was used as a chemical probe to determine the hydrogen donating ability (HDA) of H2, Venezuela distillates, and the mixture of the two (H2+distillates) at a range of temperatures, and the synergistic HDA between H2 and distillates was measured to analyze the reaction path and activation possibilities of hydrogen. Results show that all of the HDAs determined increase as the temperature increases. The HDA of H2 is much higher than that of the distillates at the same conditions. Moreover, the HDA of the H2+distillates mixture is higher than the summation of the corresponding HDAs of the hydrogen and distillates separately. The additional activity may be caused by synergistic effects between the H2 and oil. The synergy promotes the activation of hydrogen molecules presented as some particular characteristics of the oils, such as the impact of active radicals from the oils, the utilization of a “hydrogen shuttle” from the oil fractions, and possibly activation capacity of hydrogen sulfide.
Seismic reliability analysis of buildings with torsional eccentricities
Authors: Picazo Yasser , Diaz Lopez Orlando , Esteva Luis
Published: October 2014

A study is presented of the influence of stiffness and strength eccentricities on the inelastic torsional response of buildings under the action of two simultaneous orthogonal horizontal ground motion components. Asymmetric buildings were obtained from their respective symmetric systems and were characterized by their stiffness and strength torsional eccentricities in both orthogonal directions. Based on the results of inelastic response of both building types (symmetric and asymmetric), the seismic reliability functions are determined for each system, and their forms of variation with different global system parameters are evaluated. Illustrative examples are presented about the use of this information for the formulation of seismic design criteria for in‐plan asymmetric multistory systems, in order to attain the same reliability levels implicit for symmetric systems designed in accordance with current seismic design codes. Copyright © 2014 John Wiley & Sons, Ltd.
Optimisation of cooperative spectrum sensing for cognitive radio networks in the presence of smart primary user emulation attack
Authors: Saber Mohammad Javad , Sajad Sadough Seyed Mohammad
Published: October 2014

Cooperative spectrum sensing, which is an effective method to improve the detection performance in cognitive radio (CR), imposes some threats to the network. One of these common threats is primary user emulation attack, where some malicious users try to mimic the primary signal and deceive secondary users to prevent them from accessing the vacant frequency. Here, we propose a cooperative spectrum sensing scheme for CR network in the presence of smart primary user emulation attack with spectrum sensing capability. More precisely, we optimise main parameters involved in cooperative energy detection spectrum sensing, such as the voting rule, the number of samples used for making the decision and the detection threshold so as to minimise the probability of error when energy detection is corrupted by malicious user's attack. Simulation results indicate performance improvement brought by our proposed method compared with conventional defense techniques in the presence of attacker. Copyright © 2014 John Wiley & Sons, Ltd.
A dynamic coalition formation framework for interference management in dense small‐cell networks
Authors: Ahmed Manzoor , Wang Wenbo , Zhang Biling , Sun Chengdan , Ahmad Ishtiaq , Rehman Waheed ur , Sun Yaohua , Yan Shi
Published: October 2014

In response to the drastic increase in the traffic loads being served by existing cellular wireless networks, small cells are envisioned as a promising solution to extend the coverage and offload the traffic from the overburdened macrocells. However, the interference management amongst densely deployed small cells remains a technical challenge. In this paper, a neighbourhood cooperation‐based interference mitigation scheme is proposed. By forming coalitions, the transmissions of small‐cell base stations (SBSs) within the coalition are coordinated, and the co‐tier interference amongst them is thus suppressed. Considering the facts that SBSs are selfish and rational, the cooperative behaviour of the neighbourhood SBSs is formulated as a coalition game in partition form. To achieve a final stable coalition structure, the concept of recursive core is first introduced. Then a simple distributed merge‐only algorithm is proposed, and its performance, in terms of stability, convergence and complexity, is theoretically analysed. The dynamic process of the coalition formation is further investigated. Simulation results show that the proposed algorithm can improve the individual throughput of SBS by 5.6% and 27.3%, respectively, when compared with the classical and non‐cooperative cases. Copyright © 2014 John Wiley & Sons, Ltd.
Synthesis and Properties of 5,10,15,20‐Tetrakis(4′‐trimethylsilylphenyl)chlorin
Authors: Kyushin Soichiro , Saito Yuta , Yoshimura Kimio , Horiuchi Hiroaki , Hiratsuka Hiroshi
Published: November 2014

5,10,15,20‐Tetrakis(4′‐trimethylsilylphenyl)chlorin (2) was synthesized by the reduction of 5,10,15,20‐tetrakis(4′‐trimethylsilylphenyl)porphyrin (1) with p‐toluenesulfonyl hydrazide. The structure of 2 was analyzed by spectroscopic data and X‐ray crystallography. In the UV−vis spectrum, the Soret and Q bands of 2 show slight bathochromic shifts compared with those of 5,10,15,20‐tetraphenylchlorin (TPC) and have slightly larger molecular extinction coefficients than those of TPC.
Radiosynthesis of [18F]ATPFU: a potential PET ligand for mTOR
Authors: Majo Vattoly J. , Simpson Norman R. , Prabhakaran Jaya , Mann J. John , Kumar J. S. Dileep
Published: October 2014

Mammalian target of rapamycin (mTOR) plays a pivotal role in many aspects of cellular proliferation, and recent evidence suggests that an altered mTOR signaling pathway plays a central role in the pathogenesis of aging, tumor progression, neuropsychiatric, and major depressive disorder. Availability of a mTOR‐specific PET tracer will facilitate monitoring early response to treatment with mTOR inhibitors that are under clinical development. Towards this we have developed the radiosynthesis of [18F]1‐(4‐(4‐(8‐oxa‐3‐azabicyclo[3.2.1]octan‐3‐yl)‐1‐(2,2,2‐trifluoroethyl)‐1H‐pyrazolo[3,4‐d]pyrimidin‐6‐yl)phenyl)‐3‐(2‐fluoroethyl)urea [18F]ATPFU ([18F]1) as an mTOR PET ligand. Synthesis of reference 1 and the precursor for radiolabeling, 4‐(4‐8‐oxa‐3‐azabicyclo[3.2.1]‐octan‐3yl)‐1‐(2,2,2‐trifluoroethyl)‐1H‐pyrazolo[3,4‐d]pyrimidin‐6yl)aniline (10), were achieved from beta‐chloroaldehyde 3 in 4 and 5 steps, respectively, with an overall yield of 25–28%. [18F]Fluoroethylamine was prepared by heating N‐[2‐(toluene‐4‐sulfonyloxy)ethyl]phthalimide with [18F]fluoride ion in acetonitrile. [18F]1 was obtained by slow distillation under argon of [18F]FCH2CH2NH2 into amine 10 that was pre‐treated with triphosgene at 0–5 °C. The total time required for the two‐step radiosynthesis including semi‐preparative HPLC purification was 90 min, and the overall radiochemical yield of [18F]1 for the process was 15 ± 5% based on [18F]fluoride ion (decay corrected). At the end of synthesis (EOS), the specific activity was 37–74 GBq/µmol (N = 6).
Temperature‐dependent, micro‐Raman spectroscopic study of barium titanate nanoparticles
Authors: Sendova Mariana , Hosterman Brian D. , Raud Ralf , Hartmann Thomas , Koury Daniel
Published: October 2014

A comparative, temperature‐dependent (80–500 K at 5 K intervals), micro‐Raman spectroscopic study of 300 and 50 nm diameter ceramic BaTiO3 nanoparticles was carried out with the purpose of elucidating the nanoparticle size effect on the temperature dependence of the polar and non‐polar phonons. A method for calibrating Raman intensities, along with an iterative spectral fitting algorithm, is proposed for concurrent Raman band position and intensity analysis, increasing the analytical abilities of single temperature point Raman spectroscopy. The 300 nm particles exhibit all three phase transitions, whereas the 50 nm particles do not show evidence of these phase transitions in the same temperature range. The Curie temperature appears to be a phonon converging point, irrespective of the phonon symmetry. An attempt was made to qualitatively relate the temperature‐dependent Raman spectra to complimentary non‐spectroscopic methods, such as heat capacity and X‐ray diffraction studies. The study proves that the temperature‐dependent behavior of the polar phonon, 265 cm−1, can be utilized as a sensitive phase transition probe. Copyright © 2014 John Wiley & Sons, Ltd.
A novel method to determine flow‐accelerated corrosion rate based on fluid structure interaction
Authors: Zhu X. L. , Zhu L. X. , Lu X. F. , Ling X.
Published: October 2014

In this paper, the mechanism of flow‐accelerated corrosion (FAC) and FAC rate prediction model are investigated. A modified MIT model is obtained by illustrating the relationship between CPF thickness and porosity with CPF stress based on fluid structure interaction (FSI) numerical simulation. The results reveal that the effect of fluid on CPF strength gradually increased with increasing of velocity, thereby increasing Tresca stress and deformation. CPF thickness gradually decreased with increasing stress and decreasing pH. CPF porosity gradually increased with increasing Tresca stress; however, porosity change became smaller when stress reached a certain value. CPF porosity is gradually reduced with increasing temperature. Finally, FAC rate is proportional to Tresca stress and temperature and is inversely proportional to pH. The calculation results of the modified MIT model agree with the experimental results.
Spektroskopie trifft Elektrochemie
Authors: Weißer Fritz , Deibel Naina , Sarkar Biprajit
Published: October 2014

Traditionell gewinnt die Spektroelektrochemie Einblicke in die elektronische Struktur und die Redoxzustände von Verbindungen. Neue Techniken klären die Mechanismen katalytischer Reaktionen auf und helfen, die Aktivierungsprozesse kleiner Moleküle zu verstehen.
Mit Open Source auswerten
Authors: Klingberg Andreas , Wenig Philip
Published: October 2014

Die Software Openchrom akzeptiert Datenformate aus Chromatographen und Massenspektrometern. Damit lassen sich Daten einlesen, bearbeiten, visualisieren und in ein Format überführen, das auch andere Programme lesen können. Die Software ist quelloffen und an weitere Spektrendaten anpassbar.
Several 2‐facility location problems on networks with equity objectives
Authors: Kalcsics Jörg , Nickel Stefan , Puerto Justo , Rodríguez‐Chía Antonio M.
Published: October 2014

We consider 2‐facility location problems with equity measures, defined on networks. The models discussed are, the variance, the mean of absolute weighted deviations, the maximum weighted absolute deviation, the sum of absolute weighted differences, and the range. We give new algorithmic results for these models in the 2‐facility case. © 2014 Wiley Periodicals, Inc. NETWORKS, Vol. 65(1), 1–9. 2015
Prioritizing targets for structural biology through the lens of proteomics: The archaeal protein TGAM_1934 from Thermococcus gammatolerans
Authors: Yang Yin‐Shan , Fernandez Bernard , Lagorce Arnaud , Aloin Valérie , De Guillen Karine Montet , Boyer Jean‐Baptiste , Dedieu Alain , Confalonieri Fabrice , Armengaud Jean , Roumestand Christian
Published: October 2014

ORFans are hypothetical proteins lacking any significant sequence similarity with other proteins. Here, we highlighted by quantitative proteomics the TGAM_1934 ORFan from the hyperradioresistant Thermococcus gammatolerans archaeon as one of the most abundant hypothetical proteins. This protein has been selected as a priority target for structure determination on the basis of its abundance in three cellular conditions. Its solution structure has been determined using multidimensional heteronuclear NMR spectroscopy. TGAM_1934 displays an original fold, although sharing some similarities with the 3D structure of the bacterial ortholog of frataxin, CyaY, a protein conserved in bacteria and eukaryotes and involved in iron–sulfur cluster biogenesis. These results highlight the potential of structural proteomics in prioritizing ORFan targets for structure determination based on quantitative proteomics data. The proteomic data and structure coordinates have been deposited to the ProteomeXchange with identifier PXD000402 (http://proteomecentral.proteomexchange.org/dataset/PXD000402) and Protein Data Bank under the accession number 2mcf, respectively.
Hidden chemistry of substituted aniline radical cations in water: a mechanistic study
Authors: Nalawade Pradnya , Naumov Sergej , Kapoor Sudhir
Published: October 2014

Absolute rate constants for hydroxyl radical, azide radical, and hydrated electron reactions with a sulfa drug 4,4'‐diamino diphenyl sulfone (dapsone) in water have been evaluated using electron pulse radiolysis technique. Absolute rate constants for hydroxyl radical and azide radical were determined as (8.4 ± 0.3) × 109 and (5.6 ± 0.5) × 109 M−1 s−1, respectively. The reduction of dapsone with the hydrated electron occurred with rate constant of (9.2 ± 0.1) × 109 M−1 s−1. Hydroxyl radical reactions result in the synchronous formation of adduct as well as anilino radical. The interesting observation is that the yield of the anilino radical increases with increase in pH. Contrary to this, the yield of the adduct decreases with pH. We propose that hydroxyl radical adds predominantly to the aniline. In contrast, the reaction of azide radical with the dapsone suggests that the reaction occurs at the –NH2 moiety of the aniline ring. The free radical electron transfer from dapsone to parent radical cation of non‐polar solvent also results in the formation of anilino radical only suggesting that the radical cation of dapsone has a short lifetime. The reaction of hydrated electrons with the dapsone suggests that the reaction occurs at different reaction site. The experimental results supported by theoretical calculations of this study provide fundamental mechanistic parameters that probably decide the fate of the radical cation of aniline derivatives. Copyright © 2014 John Wiley & Sons, Ltd.
Effect of head‐to‐tail cyclization on conformation of histatin‐5
Authors: Sikorska Emilia , Kamysz Elżbieta
Published: October 2014

Histatin‐5 (Hst‐5, DSHAKRHHGYKRKFHEKHHSHRGY) is a member of a histidine‐rich peptide family secreted by major salivary glands, exhibiting high fungicidal activity against Candida albicans. In the present work, we demonstrate the 3D structure of the head‐to‐tail cyclic variant of Hst‐5 in TFE solution determined using NMR spectroscopy and molecular dynamics simulations. The cyclic histatin‐5 reveals a helix‐loop‐helix motif with α‐helices at positions Ala4‐His7 and Lys11‐Ser20. Both helical segments are arranged relative to each other at an angle of ca. 142°. The head‐to‐tail cyclization increases amphipathicity of the peptide, this, however, does not affect its antimicrobial potency. Copyright © 2014 European Peptide Society and John Wiley & Sons, Ltd.
Ab initio investigations of electron correlation effect and phonon dynamics of orthorhombic uranium
Authors: Yang Jin‐Wen , Gao Tao , Liu Ben‐Qiong , Sun Guang‐Ai , Chen Bo
Published: October 2014

We have performed first principles calculations for the electronic, dynamical, and thermodynamic properties of α‐U using the projector augmented wave (PAW) method. The optimized lattice parameters, equilibrium volume, atomic energy, bulk modulus, and its pressure derivative are close to the experimental data and other calculations. To evaluate the strong on‐site Coulomb repulsion among the localized uranium 5f electrons, the generalized gradient approximation (GGA)+U formalism have been adopted. It is shown that the total DOS at the Fermi energy level mainly comes from the contribution of narrow f band, the electron correlation effect is small for metallic bands of uranium. In particular, the phonon spectrum of α‐U is calculated within density functional perturbation theory (DFPT) as well as the small displacement method, the coincidence between our calculations and Crummett et al.'s inelastic neutron scattering measurements indicates that both phonon methods based on PAW scheme are reasonable to capture the anomalous phonon properties of α‐U. The calculated dynamical properties of uranium under pressure suggest that Cmcm uranium should be stabilized dynamically at least up to 100 GPa, which accords with X‐ray diffraction experimental results of Le Bihan et al. The thermodynamic functions of α‐U under high temperature and high pressure are also obtained further.
One‐Dimensional Densely Aligned Perovskite‐Decorated Semiconductor Heterojunctions with Enhanced Photocatalytic Activity
Authors: Wang Mengye , Zheng Dajiang , Ye Meidan , Zhang Chuchu , Xu Binbin , Lin Changjian , Sun Lan , Lin Zhiqun
Published: October 2014

By using one‐dimensional rutile TiO2 nanorod arrays as the structure‐directing scaffold as well as the TiO2 source to two consecutive hydrothermal reactions, densely aligned SrTiO3‐modified rutile TiO2 heterojunction photocatalysts are crafted for the first time. The first hydrothermal processing yielded nanostructured rutile TiO2 with the hollow openings on the top of nanorods (i.e., partially etched rutile TiO2 nanorod arrays; denoted PE‐TNRAs). The subsequent second hydrothermal treatment in the presence of Sr2+ transforms the surface of partially etched rutile TiO2 nanorods into SrTiO3 nanoparticles via the concurrent dissolution of TiO2 and precipitation of SrTiO3 while retaining the cylindrical shape (i.e., forming SrTiO3‐decorated rutile TiO2 composite nanorods; denoted STO‐TNRAs). The structural and composition characterizations substantiate the success in achieving STO‐TNRA nanostructures. In comparison to PE‐TNRAs, STO‐TNRA photocatalysts exhibit higher photocurrents and larger photocatalytic degradation rates of methylene blue (3.21 times over PE‐TNRAs) under UV light illumination as a direct consequence of improved charge carrier mobility and enhanced electron/hole separation. Such 1D perovskite‐decorated semiconductor nanoarrays are very attractive for optoelectronic applications in photovoltaics, photocatalytic hydrogen production, among other areas.
An integrated model with classification criteria to predict small‐for‐gestational‐age fetuses at risk of adverse perinatal outcome
Authors: Figueras F. , Savchev S. , Triunfo S. , Crovetto F. , Gratacos E.
Published: October 2014

Objective

To develop an integrated model with the best performing criteria for predicting adverse outcome in small‐for‐gestational‐age (SGA) pregnancies.

Methods

A cohort of 509 pregnancies with a suspected SGA fetus, eligible for trial of labor, was recruited prospectively and data on perinatal outcome were recorded. A predictive model for emergency Cesarean delivery because of non‐reassuring fetal status or neonatal acidosis was constructed using a decision tree analysis algorithm, with predictors: maternal age, body mass index, smoking, nulliparity, gestational age at delivery, onset of labor (induced vs spontaneous), estimated fetal weight (EFW), umbilical artery pulsatility index (PI), mean uterine artery (UtA) PI, fetal middle cerebral artery PI and cerebroplacental ratio (CPR).

Results

An adverse outcome occurred in 134 (26.3%) cases. The best performing predictors for defining a high risk for adverse outcome in SGA fetuses was the presence of a CPR < 10th centile, a mean UtA‐PI > 95th centile or an EFW < 3rd centile. The algorithm showed a sensitivity, specificity and positive and negative predictive values for adverse outcome of 82.8% (95% CI, 75.1–88.6%), 47.7% (95% CI, 42.6–52.9%), 36.2% (95% CI, 30.8–41.8%) and 88.6% (95% CI, 83.2–92.5%), respectively. Positive and negative likelihood ratios were 1.58 and 0.36.

Conclusions

Our model could be used as a diagnostic tool for discriminating SGA pregnancies at risk of adverse perinatal outcome. Copyright © 2014 ISUOG. Published by John Wiley & Sons Ltd.
Small RNAs with big implications: new insights into H/ACA snoRNA function and their role in human disease
Authors: McMahon Mary , Contreras Adrian , Ruggero Davide
Published: October 2014

A myriad of structurally and functionally diverse noncoding RNAs (ncRNAs) have recently been implicated in numerous human diseases including cancer. Small nucleolar RNAs (snoRNAs), the most abundant group of intron‐encoded ncRNAs, are classified into two families (box C/D snoRNAs and box H/ACA snoRNAs) and are required for post‐transcriptional modifications on ribosomal RNA (rRNA). There is now a growing appreciation that nucleotide modifications on rRNA may impart regulatory potential to the ribosome; however, the functional consequence of site‐specific snoRNA‐guided modifications remains poorly defined. Discovered almost 20 years ago, H/ACA snoRNAs are required for the conversion of specific uridine residues to pseudouridine on rRNA. Interestingly, recent reports indicate that the levels of subsets of H/ACA snoRNAs required for pseudouridine modifications at specific sites on rRNA are altered in several diseases, particularly cancer. In this review, we describe recent advances in understanding the downstream consequences of H/ACA snoRNA‐guided modifications on ribosome function, discuss the possible mechanism by which H/ACA snoRNAs may be regulated, and explore prospective expanding functions of H/ACA snoRNAs. Furthermore, we discuss the potential biological implications of alterations in H/ACA snoRNA expression in several human diseases. WIREs RNA 2015, 6:173–189. doi: 10.1002/wrna.1266

This article is categorized under:

Translation > Translation Regulation

RNA Processing > RNA Editing and Modification

RNA in Disease and Development > RNA in Disease
Meta-analysis of Diagnostic Accuracy and ROC Curves with Covariate Adjusted Semiparametric Mixtures
Authors: Doebler Philipp , Holling Heinz
Published: October 2014

Many screening tests dichotomize a measurement to classify subjects. Typically a cut-off value is chosen in a way that allows identification of an acceptable number of cases relative to a reference procedure, but does not produce too many false positives at the same time. Thus for the same sample many pairs of sensitivities and false positive rates result as the cut-off is varied. The curve of these points is called the receiver operating characteristic (ROC) curve. One goal of diagnostic meta-analysis is to integrate ROC curves and arrive at a summary ROC (SROC) curve. Holling, Böhning, and Böhning (Psychometrika 77:106–126, 2012a) demonstrated that finite semiparametric mixtures can describe the heterogeneity in a sample of Lehmann ROC curves well; this approach leads to clusters of SROC curves of a particular shape. We extend this work with the help of the <mml:math xmlns:xlink="http://www.w3.org/1999/xlink" xmlns:mnf="http://cambridge.org/core/manifest" xmlns:cup="http://contentservices.cambridge.org" xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:m="http://cambridge.org/core/metadata" xmlns:core="http://cambridge.org/core" xmlns:c="http://cambridge.org/core/content">tα\documentclass[12pt]{minimal}
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\begin{document}$$t_{\alpha }$$\end{document} transformation, a flexible family of transformations for proportions. A collection of SROC curves is constructed that approximately contains the Lehmann family but in addition allows the modeling of shapes beyond the Lehmann ROC curves. We introduce two rationales for determining the shape from the data. Using the fact that each curve corresponds to a natural univariate measure of diagnostic accuracy, we show how covariate adjusted mixtures lead to a meta-regression on SROC curves. Three worked examples illustrate the method.