bluuebunny/crossref_metadata_2025 huggingface dataset:
Genetic Dissection of Acute Anterior Uveitis Reveals Similarities and Differences in Associations Observed With Ankylosing Spondylitis
Authors: Robinson Philip C. , Claushuis Theodora A. M. , Cortes Adrian , Martin Tammy M. , Evans David M. , Leo Paul , Mukhopadhyay Pamela , Bradbury Linda A. , Cremin Katie , Harris Jessica , Maksymowych Walter P. , Inman Robert D. , Rahman Proton , Haroon Nigil , Gensler Lianne , Powell Joseph E. , van der Horst‐Bruinsma Irene E. , Hewitt Alex W. , Craig Jamie E. , Lim Lyndell L. , Wakefield Denis , McCluskey Peter , Voigt Valentina , Fleming Peter ,   Spondyloarthritis Research Consortium of Canada, Australio-Anglo-American Spondylitis Consortium, International Genetics of Ankylosing Spondylitis Consortium, Wellcome Trust Case Control Study 2, Degli‐Esposti Mariapia , Pointon Jennifer J. , Weisman Michael H. , Wordsworth B. Paul , Reveille John D. , Rosenbaum James T. , Brown Matthew A.
Published: September 2014

Objective

To use high‐density genotyping to investigate the genetic associations of acute anterior uveitis (AAU) in patients with and those without ankylosing spondylitis (AS).

Methods

We genotyped samples from 1,711 patients with AAU (either primary or combined with AS), 2,339 AS patients without AAU, and 10,000 control subjects on an Illumina Immunochip Infinium microarray. We also used data for AS patients from previous genome‐wide association studies to investigate the AS risk locus ANTXR2 for its putative effect in AAU. ANTXR2 expression in mouse eyes was investigated by real‐time quantitative reverse transcription–polymerase chain reaction.

Results

A comparison between all patients with AAU and healthy control subjects showed strong association over HLA–B, corresponding to the HLA–B27 tag single‐nucleotide polymorphism rs116488202. The association of 3 non–major histocompatibility complex loci, IL23R, the intergenic region 2p15, and ERAP1, reached genome‐wide significance (P < 5 × 10−8). Five loci harboring the immune‐related genes IL10–IL19, IL18R1–IL1R1, IL6R, the chromosome 1q32 locus harboring KIF21B, as well as the eye‐related gene EYS, were also associated, reaching a suggestive level of significance (P < 5 × 10−6). Several previously confirmed AS associations demonstrated significant differences in effect size between AS patients with AAU and AS patients without AAU. ANTXR2 expression varied across eye compartments.

Conclusion

These findings of both novel AAU‐specific associations and associations shared with AS demonstrate overlapping but also distinct genetic susceptibility loci for AAU and AS. The associations in IL10 and IL18R1 are shared with inflammatory bowel disease, suggesting common etiologic pathways.
Design and Validation of a Model‐Based Starting Speed Control Scheme for Spark Ignition Engines
Authors: Zhang Jiangyan , Shen Tielong , Junichi Kako , Marino Riccardo
Published: September 2014

The main objective of this paper is to present the design and experimental validations of a model‐based control scheme, which aims at smooth and fast response for spark ignition (SI) engines during the starting phase. The control scheme consists of the fuel injection control loop and the speed regulation loop. As far as the fuel control is concerned, an observer‐based estimation scheme is designed which includes the air charge estimation for each cylinder: this estimation is needed to generate the individual injection command by inverting the dynamical model of fuel path. The speed regulation is achieved by an event‐based coordinated feedback control of spark advance (SA) and throttle opening: the convergence analysis is shown by using the Lyapunov–Krasovskiii stability theorem for time‐delay systems. The control scheme proposed formerly by the authors, which was only tested by simulations, is redesigned and recalibrated to meet the robustness specifications which were violated in experiments. The redesigned controller is found to be satisfactory in extensive experimental tests.
Anchoring Effects in Simulated Academic Promotion Decisions: How the Promotion Criterion Affects Ratings and the Decision to Support an Application
Authors: Chen Zhe , Kemp Simon
Published: September 2014

Six experiments investigated the effect of the promotion criterion in simulated academic promotion decisions. In total, 547 undergraduate students and 33 university faculty members rated a promotion application, and some also indicated their decisions to support or to reject it. Performance ratings were reliably affected by the criterion, with a high criterion resulting in higher ratings than a low criterion, and this criterion effect was found regardless of the evaluator's expertise, whether he or she took the role of an independent assessor or the line manager to the applicant, or whether the criterion was provided by the experimenter or randomly generated by the participant. The criterion also affected the level of support for a candidate when the position applied for was perceived to be extremely competitive, or when a lesser position was considered at a later time. These results provide evidence that the use of a criterion, a fairly common practice in decision‐making processes, may bias performance evaluations, which in turn may have ripple effects that affect the outcome of a chain of events. Our results also shed light on the possible mechanisms that underlie the rating biases in performance appraisal. Copyright © 2014 John Wiley & Sons, Ltd.
Synthesis, Structure, and Properties of α,β‐Linked Oligothiazoles with Controlled Sequence
Authors: Nakashima Takuya , Imamura Kazuhiko , Yamamoto Kyohei , Kimura Yuka , Katao Shohei , Hashimoto Yuichiro , Kawai Tsuyoshi
Published: September 2014

α,β‐Linked oligothiazoles with head‐to‐tail connectivity are presented as a new family of helical scaffolds. Combinations of palladium‐catalyzed cross‐coupling reactions at the 5‐ and 4‐positions of 2‐phenylthiazole led to the synthesis of oligo(2‐phenylthiazoles) with ortho linkages with a variety of defined sequences. The secondary structures of the α,β‐linked oligo(2‐phenylthiazoles) showed a clear dependence on their sequences. X‐ray crystallography of the trimer, tetramer, and hexamer with head‐to‐tail connection revealed the formation of a helical structure, which was stabilized by a combination of intramolecular forces, including interheteroatom (S⋅⋅⋅N), CH–π, and π–π interactions. The introduction of a chiral end‐group successfully led to the induction of chirality into the helical conformations. Programmable sequences for controlled geometries and photofunctions have been demonstrated through the manifold connection pathways in α,β‐linked oligothiazoles.
Controlling Aqueous Self‐Assembly Mechanisms by Hydrophobic Interactions
Authors: Rudolph Tobias , Kumar Allampally Naveen , Fernández Gustavo , Schacher Felix H.
Published: September 2014

We report an innovative template‐assisted synthetic protocol for the selective functionalization of terminal triple bonds in oligophenyleneethynylenes (OPE) by pre‐organization in aqueous solution. By this approach, three new OPE‐based bolaamphiphiles substituted with hydrophilic poly(2‐ethyl‐2‐oxazoline) (PEtOx) chains of different length have been synthesized. The chain length was observed to strongly influence the aqueous supramolecular polymerization: bolaamphiphiles with longer hydrophilic chains aggregate into spherical nanoparticles in a stepwise fashion, whereas 2D anisotropic platelets are formed cooperatively if shorter PEtOx chains are used. Our results demonstrate that hydrophobic interactions can be strong enough to trigger cooperative effects in aqueous self‐assembly processes.
Ionic Liquids as Precatalysts in the Highly Stereoselective Conjugate Addition of α,β‐Unsaturated Aldehydes to Chalcones
Authors: Ta Linda , Axelsson Anton , Bijl Joachim , Haukka Matti , Sundén Henrik
Published: September 2014

Imidazolium‐based ionic liquids (ILs) serve both as recyclable reaction media and as precatalysts for the N‐heterocyclic carbene‐catalyzed conjugate addition of α,β‐unsaturated aldehydes to chalcones. The reaction produces a broad scope of 1,6‐ketoesters incorporating ananti‐diphenyl moiety in high yields and with high stereoselectivity. In recycling experiments, the IL can be reused up to five times with retained reactivity and selectivity. Moreover, the 1,6‐ketoesters form self‐assembled organogels in aliphatic hydrocarbons. The reaction protocol is robust, easily operated, scalable and highly functionalized compounds can be obtained from inexpensive and readily accessible starting materials.
Real‐time cardiac metabolism assessed with hyperpolarized [1‐13C]acetate in a large‐animal model
Authors: Flori Alessandra , Liserani Matteo , Frijia Francesca , Giovannetti Giulio , Lionetti Vincenzo , Casieri Valentina , Positano Vincenzo , Aquaro Giovanni Donato , Recchia Fabio A. , Santarelli Maria Filomena , Landini Luigi , Ardenkjaer‐Larsen Jan Henrik , Menichetti Luca
Published: September 2014

Dissolution‐dynamic nuclear polarization (dissolution‐DNP) for magnetic resonance (MR) spectroscopic imaging has recently emerged as a novel technique for noninvasive studies of the metabolic fate of biomolecules in vivo. Since acetate is the most abundant extra‐ and intracellular short‐chain fatty acid, we focused on [1‐13C]acetate as a promising candidate for a chemical probe to study the myocardial metabolism of a beating heart. The dissolution‐DNP procedure of Na[1‐13C]acetate for in vivo cardiac applications with a 3 T MR scanner was optimized in pigs during bolus injection of doses of up to 3 mmol. The Na[1‐13C]acetate formulation was characterized by a liquid‐state polarization of 14.2% and a T1Eff in vivo of 17.6 ± 1.7 s. In vivo Na[1‐13C]acetate kinetics displayed a bimodal shape: [1‐13C]acetyl carnitine (AcC) was detected in a slice covering the cardiac volume, and the signal of 13C‐acetate and 13C‐AcC was modeled using the total area under the curve (AUC) for kinetic analysis. A good correlation was found between the ratio AUC(AcC)/AUC(acetate) and the apparent kinetic constant of metabolic conversion, from [1‐13C]acetate to [1‐13C]AcC (kAcC), divided by the AcC longitudinal relaxation rate (r1). Our study proved the feasibility and the limitations of administration of large doses of hyperpolarized [1‐13C]acetate to study the myocardial conversion of [1‐13C]acetate in [1‐13C]acetyl‐carnitine generated by acetyltransferase in healthy pigs. Copyright © 2014 John Wiley & Sons, Ltd.
Scheduling independent tasks on multi‐cores with GPU accelerators
Authors: Bleuse Raphael , Kedad‐Sidhoum Safia , Monna Florence , Mounié Grégory , Trystram Denis
Published: September 2014

More and more computers use hybrid architectures combining multi‐core processors and hardware accelerators such as graphics processing units (GPUs). We present in this paper a new method for scheduling efficiently parallel applications with m CPUs and k GPUs, where each task of the application can be processed either on a core (CPU) or on a GPU. The objective is to minimize the maximum completion time (makespan). The corresponding scheduling problem is Non‐deterministic Polynomial (NP)‐time hard, Copyright © 2014 John Wiley & Sons, Ltd.
Platform zero: a step closer to ubiquitous computing
Authors: Muhlbauer Adam , Zelinsky Timothy , Kanhere Salil S.
Published: September 2014

Ubiquitous computing is predicted to be the next major paradigm shift in computing since the personal computing revolution. The past 5–10 years has seen the development and adoption of fast mobile devices and widely available data networks, enabling a new generation user and device interaction. However, without understanding the context in which they operate, devices cannot truly adapt to humans or the environment in which they operate.

We present a real‐time, context‐aware platform that promotes information‐centric, natural interactions between many different personal computing devices. Our system allows devices to intelligently interpret the context they operate in to better serve the user. Moreover, our platform supports a rapidly emerging trend in computing, wherein a single user simultaneously uses multiple devices in unison (computer, smartphone and tablet) to complete a particular task. Our platform can use current device context to sense collaboration between devices and users, automatically annotating information to improve future retrieval. Through removing the perceived borders between devices, our system aims to create a seamless information sharing experience in a multi‐device, multiuser environment. Our reference implementation supports Apple iOS devices and OSX computers. Moreover, we present extensive evaluations to demonstrate its efficacy. Copyright © 2014 John Wiley & Sons, Ltd.
Photocatalytic activity of Ag‐ZnO heterostructure for degradation of rhodamine B under direct sunlight
Authors: Zhai Hongju , Wang Lijing , Sun Dewu , Li Xiuyan , Chang Limin , Li Xin
Published: September 2014

Ag‐ZnO heterostructure was obtained through a simple method that is suitable for general laboratory production. The X‐ray diffraction (XRD), transmission electron microscopy (TEM) results showed that Ag‐ZnO heterostructure had excellent purity and crystalline properties. Meanwhile, the catalytic degradation results demonstrated that it had high photocatalytic activity to the degradation of rhodamine B (RhB). Besides, in order to explore the optimum catalytic activity of the sample, the influences of experimental parameters including additives, the amount of catalyst, the concentration and initial pH of RhB were studied in detail.
A weighted kernel possibilistic c‐means algorithm based on cloud computing for clustering big data
Authors: Zhang Qingchen , Chen Zhikui
Published: September 2014

Possibilistic c‐means (PCM) cluster algorithm has emerged as an important tool for data preprocessing widely used in data mining and knowledge discovery. Owning to the huge amount of data, high computational complexity, and noise‐corrupted data, the PCM algorithms scaled for big data find it difficult to produce a good result in real time. The paper proposes a weighted kernel PCM (wkPCM) algorithm to cluster data objects in appropriate groups. The proposed algorithm introduces weights to define the relative importance of each object in the kernel clustering solution, which reduces the corruption caused by noisy data. In order to improve the real time of the proposed algorithm, cloud computing technology is used to optimize wkPCM to propose a distributed wkPCM algorithm based on MapReduce, which can provide significant computation speed. Experiment demonstrates that the proposed possibilistic clustering algorithms can cluster big data in appropriate groups in real time. Copyright © 2014 John Wiley & Sons, Ltd.
Value of thyroid specific peroxidase and Ki‐67 stains in preoperative cytology for thyroid follicular tumors
Authors: Maruta Junko , Hashimoto Hironobu , Yamashita Hiroto , Noguchi Hitoshi , Noguchi Shiro , Kobayashi Tadao K. , Tsuneoka Hidehiro , Takahashi Mutsuo
Published: September 2014

Background

The aim of this study was to elucidate immunocytochemically whether thyroid specific peroxidase (TPO) and Ki‐67 can complement fine‐needle aspiration (FNA) cytology as useful markers in order to distinguish between follicular adenoma (FA) and follicular carcinoma (FC).

Methods

We studied 40 FAs and 68 FCs obtained by surgical resection. FNA cytology smears were divided into two groups: Cytology‐A (Cy‐A) (94 cases) with typical benign cytology and Cytology‐B (Cy‐B) (14 cases) with atypical cytology. FCs were divided into two groups: FC‐I (42 cases) without any poorly differentiated structures and FC‐II (26 cases) with some poorly differentiated structures. Cytology smears and histology from FAs and FCs were studied immunocytochemically for thyroid specific peroxidase (TPO) and Ki‐67.

Results

TPO expression was negative in 12.5% FAs, 21.4% FC‐I, and 46.2% FC‐II. In 68 FC cases, Cy‐B were more frequently observed in TPO‐negative cases (38.1%) than in TPO‐positive cases (12.8%). The mean Ki‐67 LI was 0.46 in FAs, 0.53 in FC‐I, and 1.13 in FC‐II. The high Ki‐67 LI was correlated with Cy‐B. Moreover, higher Ki‐67 LI showed a close relationship with distant metastasis. In 94 Cy‐A cases, 54 cases were FCs. When 38 cases with negative TPO or Ki‐67 LI over 0.62 were extracted from them, as many as 28 cases were FCs, the rate of FCs were significantly higher than the rest.

Conclusion

Therefore, addition of TPO stain and Ki‐67 stain to routine Papanicolaou stain could improve the diagnostic reliability of FNA cytology for FC with high degree of malignancy. Diagn. Cytopathol. 2015;43:202–209. © 2014 Wiley Periodicals, Inc.
Hypoxia Imaging of Tumor and Spatiotemporal Analysis during Oxygen Inhalation
Authors: Yamada Ryo , Horinouchi Hirohisa , Tsukada Kosuke
Published: September 2014

Tumor hypoxia is considered a potential therapeutic problem because it reduces the effects of radiation therapy. Clinical experience has shown that long‐term tumor oxygenation cannot be achieved with oxygen inhalation, but the mechanisms behind this phenomenon remain unknown. In this study, we designed an optical system for evaluating spatiotemporal changes in tissue oxygen tension (pO2) by phosphorescence quenching. The system can measure continuous changes in pO2 at a fixed point and can also perform two‐dimensional mapping of pO2 in any part of the tumor tissue. We implanted tumor tissue in a dorsal skinfold chamber (DSC) of C57BL/6 mice and observed tumor growth. The mice received oxygen inhalation and pO2 was measured. Tumor pO2 increased after inhalation but the oxygen level was not maintained despite continuous inhalation of pure oxygen; the tumor returned to a hypoxic state. These results mimic the clinical experience of oxygen inhalation treatment in radiation therapy. Our system reproduces the repeat hypoxic phenomenon in a murine tumor model and can be used to determine the mechanisms of oxygen metabolism in tumors.
Determination of Whitening Filter Order for Estimation of Electromechanical Mode by Regression Model Representing Power System Damping Characteristics
Authors: SUGAWARA NAOYA , SAITOH HIROUMI , AKIYAMA YASUTO , SAKAMOTO KUNIO
Published: September 2014

This paper proposes a new method of estimating accurately the modal damping of a weakly damped electromechanical oscillation in power systems. The proposed method is based on a whitening filter (finite impulse response filter) to estimate the modal damping from the system response and a regression model to express the relation between the modal damping and system state variables, such as the active and reactive power outputs of generators. The feature of the method is that an optimal order of the whitening filter is determined so as to minimize the error of the linear regression model. A simulation study using the IEEJ EAST 10 machine model shows that the proposed method is effective for accurate estimation of weakly damped oscillation modes.
A Precise Photolithography Process Control Method Using Virtual Metrology
Authors: TSUDA HIDETAKA , SHIRAI HIDEHIRO , KAWAMURA EIICHI
Published: September 2014

Virtual metrology, which enables both precise controllability and economic efficiency for semiconductor manufacturing processes, has recently attracted interest. The current virtual metrology model is mainly based on hypothesis‐verification methods that depend on engineers' skills and updating of the model in accordance with situation changes in tools and processes. We propose a precise photolithography process control method using virtual metrology. In our method, we extract the current virtual metrology model by data mining, thus making updation is unnecessary.
Age, prognostic impact of QRS prolongation and left bundle branch block, and utilization of cardiac resynchronization therapy: findings from 14 713 patients in the Swedish Heart Failure Registry
Authors: Lund Lars H. , Benson Lina , Ståhlberg Marcus , Braunschweig Frieder , Edner Magnus , Dahlström Ulf , Linde Cecilia
Published: September 2014

Aims

Age is not a contraindication to cardiac resynchronization therapy (CRT), but the prevalence and prognostic impact of QRS prolongation with intraventricular conduction delay (IVCD) and left bundle branch block (LBBB), as well as CRT utilization, may differ with age. We tested the hypotheses that in the elderly: (i) IVCD and LBBB are more prevalent, (ii) IVCD and LBBB are more harmful, and (iii) CRT is underutilized.

Methods and results

We studied 14 713 patients with ejection fraction ≤39% in the Swedish Heart Failure Registry and divided into age groups ≤65 years, 66–80 years and >80 years. Among 13 782 patients without CRT, IVCD was present in the three age groups in 11% vs. 15% vs. 19% and LBBB was present in 20% vs. 27% vs. 28%, respectively, (P < 0.001). The multivariable hazard ratio (HR) for all‐cause mortality over a median (interquartile range) follow‐up of 29 (12–53) months for IVCD vs. narrow QRS was 1.31 (1.06–1.63, P = 0.013) in the ≤65 year group, 1.32 (1.17–1.47, P < 0.001) in the 66–80 year group, and 1.26 (1.21–1.41, p < 0.001) in the >80 year group. For LBBB vs. narrow QRS it was 1.29 (1.07–1.56, P = 0.009), 1.17 (1.06–1.30, P = 0.002), and 1.10 (0.99–1.22, P = 0.091), respectively. The adjusted P for interaction between age and QRS morphology was 0.664. In the three age groups, CRT was present in 6% vs. 8% vs. 4% and absent but with indication in 23% vs. 32% vs. 37%, respectively (P < 0.001).

Conclusions

Both IVCD and LBBB were more common with increasing age and were similarly strong independent predictors of mortality and in all ages. The underutilization of CRT was worse with increasing age.
Synthesis of Bulk Kesterite – A Prospective Photovoltaic Material
Authors: Podsiadlo Slawomir , Bialoglowski Maciej , Matyszczak Grzegorz , Marek Paulina , Gebicki Wojciech , Bacewicz Rajmund , Stachowicz Marcin , Dluzewski Piotr , Wozniak Krzysztof
Published: September 2014

A rapid development of photovoltaics has been observed recently. Permanent interest in new cheap and efficient photovoltaic devices stimulates a constant search for new semiconductor materials and structures. The success of materials based on CIGS (CuIn1–xGaxSe2) is limited by the prohibitive prices of the elements In and Ga. A family of quaternary semiconducting materials of the Cu2ZnSnS4 type, crystallizing mainly in the kesterite structure, offers a promise of new cheap photovoltaic materials. Kesterite is manufactured from nontoxic and naturally abundant materials. The energy gap of Cu2ZnSnS4 is about 1.5 eV, and the absorption coefficient of this direct‐band‐gap material is α > 104 cm–1 for photon energies higher than the energy gap. In this paper, we report a method of obtaining free‐standing single crystals of kesterite (Cu2ZnSnS4).
Complex Formation between [(η6‐p‐cymene)Ru(H2O)3]2+ and Hydroxycarboxylates or their Sulfur Analogues – The Role of Thiolate Groups in Metal Ion Binding
Authors: Hüse Dániel , Bíró Linda , Patalenszki János , Bényei Attila Csaba , Buglyó Péter
Published: September 2014

The interactions between [(η6‐p‐cymene)Ru(H2O)3]2+ and L‐malic acid (H2mal), L‐tartaric acid (H2tart), and their sulfur‐containing analogues dl‐thiomalic acid (H3thiomal) and meso‐2,3‐dimercaptosuccinic acid (H4dmsa) were studied by pH potentiometry, NMR spectroscopy, and ESI‐MS. The hydroxycarboxylates are potent metal ion binders and prevent hydrolysis at pH 7.4 in aqueous solution. Although H2mal forms mononuclear complexes with different degrees of protonation by the involvement of the alcohol/alkoxide group in addition to the carboxylate groups, the presence of binding isomers is detected for the H2tart system. The replacement of the alcohol group by a thiolate group results in the formation of dinuclear [Ru2A2] complexes as the single species over a wide pH range. Complexes with identical binding modes with H3thiomal or polymeric species with H4dmsa are identified, and the X‐ray structure of [{(η6‐p‐cym)Ru}2(Hthiomal)2] is reported. The stereochemistry of the chiral‐at‐metal complexes was explored by NMR spectroscopy and is also discussed.
Synthesis and Properties of a Bis[(nitronyl nitroxide)‐2‐ide radical anion]–Palladium Complex
Authors: Suzuki Shuichi , Yokoi Hiroyuki , Kozaki Masatoshi , Kanzaki Yuki , Shiomi Daisuke , Sato Kazunobu , Takui Takeji , Okada Keiji
Published: September 2014

The chemical reduction of a bis[(nitrosonium nitroxide)‐2‐ide]palladium dication, NN+‐Pd‐NN+, selectively produced reduced complexes: a stable radical cationic species, NN‐Pd‐NN+, composed of a nitronyl nitroxide (NN) and a nitrosonium nitroxide (NN+), and a stable diradical species, NN‐Pd‐NN. NN‐Pd‐NN+ showed spin‐localization in one of the nitronyl nitroxide groups, i.e., slow exchange between NN and NN+, whereas NN‐Pd‐NN exhibited a moderately large negative exchange interaction of J/kB = –36 K with a singlet ground state.
Effect of the Metal Ion on the anti T. cruzi Activity and Mechanism of Action of 5‐Nitrofuryl‐Containing Thiosemicarbazone Metal Complexes
Authors: Cipriani Micaella , Toloza Jeannette , Bradford Lara , Putzu Eugenia , Vieites Marisol , Curbelo Estela , Tomaz Ana Isabel , Garat Beatriz , Guerrero Juan , Gancheff Jorge S. , Maya Juan Diego , Olea Azar Claudio , Gambino Dinorah , Otero Lucía
Published: September 2014

Chagas disease, caused by the protozoan parasite Trypanosoma cruzi, is a major health problem worldwide. In this work, we report the development of palladium and platinum metal complexes with 5‐nitrofuryl‐containing thiosemicarbazones (L) as bioactive ligands against T. cruzi and PTA (1,3,5‐triaza‐7‐phosphaadamantane) as co‐ligand. Eight new complexes of the formula [MCl(L)(PTA)] with M = Pd or Pt were synthesized and fully characterized. Most complexes showed similar activities against T. cruzi to those of the corresponding free thiosemicarbazone ligands. No significant differences between palladium and platinum complexes were observed. Metal compounds with the phenylthiosemicarbazone derivative were the most active ones (IC50 = 9.84 ± 0.32 and 4.94 ± 0.24 μM for Pd2+ and Pt2+, respectively). The prepared complexes were not toxic on mammalian cells, showing selective indexes of more than 10–20. The ability of the complexes to be reduced in the parasite, which leads to toxic free radical species, was confirmed by the detection of OH· and nitroanion free radical species by ESR spectroscopy experiments. Gel electrophoresis and fluorescence experiments were consistent with an intercalating‐like mode of DNA interaction for the complexes, but DNA interaction does not seem to be the main mechanism of anti T. cruzi action for these compounds. The results obtained show that complexation of the bioactive ligands with the selected metals is a valid strategy to obtain improved metal‐based antiparasitic compounds.
Activation of a 1‐Chlorophosphirane Complex by Aluminum Trichloride: Generation and Trapping of [Fc‐P‐W(CO)5] (Fc = Ferrocenyl)
Authors: Ho Feny , Ganguly Rakesh , Mathey François
Published: September 2014

Aluminum trichloride catalyzes the ring opening of a 1‐chlorophosphirane W(CO)5 complex and its reaction with thiophene and ferrocene to give the corresponding 1‐(2‐thienyl)‐ and 1‐ferrocenylphosphirane derivatives. The W(CO)5 complex of the 1‐ferrocenylphosphirane is an efficient precursor of the phosphinidene complex [FcP‐W(CO)5], which is trapped by tolan, trans‐stilbene, and water.
Metallacrown Ether Catalysts Containing Phosphine–Phosphite Polyether Ligands for Rh‐Catalyzed Asymmetric Hydrogenation – Enhancements in Activity and Enantioselectivity
Authors: Song Feng‐Tao , Ouyang Guang‐Hui , Li Yong , He Yan‐Mei , Fan Qing‐Hua
Published: September 2014

A new class of tunable metallacrown ether rhodium catalysts based on α,ω‐(phosphine–phosphite) polyether ligands were prepared either by a template‐induced method or by a nontemplate procedure. For the asymmetric hydrogenation of α‐arylenamides with the addition of K+ cations, the ortho‐diphenylphosphine‐substituted metallacrown ether catalyst showed high enantioselectivities (up to 99 % ee), which are comparable to or better than the results obtained for phosphine–phosphite ligands with two or more chiral elements. Remarkable enhancements in enantioselectivity and noticeably increased catalytic activity were achieved through the supramolecular recognition between K+ cations and the metallacrown ether catalyst.
Specific 1,2‐Hydride Shift in the Boron Trifluoride Catalyzed Reactions of Aromatic Aldehydes with Diazoacetonitrile: Simple Synthesis of β‐Ketonitriles
Authors: Yang Zhanhui , Son Kwon‐Il , Li Siqi , Zhou Bingnan , Xu Jiaxi
Published: September 2014

A series of β‐ketonitriles was synthesized within 30 min under mild conditions through the BF3·OEt2‐catalyzed addition reactions of diazoacetonitrile to aromatic aldehydes and subsequent 1,2‐hydride shift. This method is advantageous in that it is operationally simple, mild and metal‐free conditions are used, the substrate scope is wide, and the products are obtained in moderate to high yields (up to 81 %). Additionally, γ,δ‐unsaturated β‐ketonitriles are also accessible by this method by using cinnamaldehydes.
Effect-directed analysis of Elizabeth River porewater: Developmental toxicity in zebrafish (Danio rerio)
Authors: Fang Mingliang , Getzinger Gordon J. , Cooper Ellen M. , Clark Bryan W. , Garner Lindsey V.T. , Di Giulio Richard T. , Ferguson P. Lee , Stapleton Heather M.
Published: September 2014

In the present study, effect-directed analysis was used to identify teratogenic compounds in porewater collected from a Superfund site along the Elizabeth River estuary (VA, USA). Zebrafish (Danio rerio) exposed to the porewater displayed acute developmental toxicity and cardiac teratogenesis, presumably because of elevated sediment levels of polycyclic aromatic hydrocarbons (PAHs) from historical creosote use. Pretreatment of porewater with several physical and chemical particle removal methods revealed that colloid-bound chemicals constituted the bulk of the observed toxicity. Size-exclusive chromatography and normal-phase high-performance liquid chromatography were used to fractionate Elizabeth River porewater. Acute toxicity of porewater extracts and extract fractions was assessed as the pericardial area in embryonic zebrafish. The most toxic fraction contained several known aryl hydrocarbon receptor (AhR) agonists (e.g., 1,2-benzofluorene and 1,2-benzanthracene) and cytochrome P450 A1 (CPY1A) inhibitors (e.g., dibenzothiophene and fluoranthene). The second most toxic fraction contained known AhR agonists (e.g., benzo[a]pyrene and indeno[1,2,3-cd]pyrene). Addition of a CYP1A inhibitor, fluoranthene, increased toxicity in all active porewater fractions, suggesting synergism between several contaminants present in porewaters. The results indicate that the observed acute toxicity associated with Elizabeth River porewater results from high concentrations of AhR agonistic PAHs and mixture effects related to interactions between compounds co-occurring at the Elizabeth River site. However, even after extensive fractionation and chemical characterization, it remains plausible that some active compounds in Elizabeth River porewater remain unidentified. Environ Toxicol Chem 2014;33:2767–2774. © 2014 SETAC
All Eyes on Early Career Researchers
Authors: Wagner Dorothea
Published: September 2014

When we discuss the future of young scientists and academics, we are talking about the future of our research system. This system will only remain effective if we succeed in attracting and retaining highly qualified individuals as early as possible. One thing is needed above all: flexible career prospects.
Fabrication of cancellous biomimetic chitosan‐based nanocomposite scaffolds applying a combinational method for bone tissue engineering
Authors: Jamalpoor Zahra , Mirzadeh Hamid , Joghataei Mohammad Taghi , Zeini Darya , Bagheri‐Khoulenjani Shadab , Nourani Mohammad Reza
Published: September 2014

The aim of this study was to mimic the specific structure of bone and fabricate a biomimetic nano‐hydroxyapatite (HA)/chitosan (Cs)/gelatin scaffolds using combination of particle leaching and freeze drying methods eliminating mold effects. To achieve an optimum structure, scaffolds with different gelatin/Cs weight ratio were fabricated. Morphological characterization of scaffolds by scanning electron microscopy method showed highly interconnected porous structures similar to cancellous bone with mean pore size ranging from 140 to 190 μm. Nano‐HA crystals were dispersed homogeneously in the polymer matrix according to the energy‐dispersive X‐ray spectroscopy and transmission electron microscopy images. Fourier transform infrared and X‐ray diffraction results disclosed that chemical interactions were formed between nano‐HA, Cs, gelatin and crystallinity of each material decreased with blending. It was found that increasing the gelatin content significantly improved water uptake, degradation rate as well as attachment, infiltration and proliferation of Saos2 cells to the scaffolds. The presented results confirm that the designed biomimetic nano‐HA /Cs/gelatin scaffolds can be used as promising substitutes for bone tissue engineering. © 2014 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 103A: 1882–1892, 2015.
PTH Receptor Signaling in Osteoblasts Regulates Endochondral Vascularization in Maintenance of Postnatal Growth Plate
Authors: Qiu Tao , Xian Lingling , Crane Janet , Wen Chunyi , Hilton Matthew , Lu William , Newman Peter , Cao Xu
Published: September 2014

Longitudinal growth of postnatal bone requires precise control of growth plate cartilage chondrocytes and subsequent osteogenesis and bone formation. Little is known about the role of angiogenesis and bone remodeling in maintenance of cartilaginous growth plate. Parathyroid hormone (PTH) stimulates bone remodeling by activating PTH receptor (PTH1R). Mice with conditional deletion of PTH1R in osteoblasts showed disrupted trabecular bone formation. The mice also exhibited postnatal growth retardation with profound defects in growth plate cartilage, ascribable predominantly to a decrease in number of hypertrophic chondrocytes, resulting in premature fusion of the growth plate and shortened long bones. Further characterization of hypertrophic zone and primary spongiosa revealed that endochondral angiogenesis and vascular invasion of the cartilage were impaired, which was associated with aberrant chondrocyte maturation and cartilage development. These studies reveal that PTH1R signaling in osteoblasts regulates cartilaginous growth plate for postnatal growth of bone. © 2014 American Society for Bone and Mineral Research.
A vectorized multiscale compressed decomposition‐based solver for partial element equivalent circuit method
Authors: Antonini Giulio , Romano Daniele
Published: September 2014

The high level of integration has made the analysis and design of integrated circuits and packages increasingly challenging. Hence, there exists an urgent need to reduce the computational complexity of existing numerical methods. The integral equation‐based method known as the partial element equivalent circuit (PEEC) method naturally generates an equivalent circuit that can be analyzed in both the time and frequency domains. The enforcement of Kirchhoff laws to the equivalent circuit may easily result into a very large set of equations whose solution can be extremely time‐consuming.

In this paper, we propose a vectorized version, over the frequency sweep, of the adaptive cross approximation algorithm. Furthermore, the multiscale block decomposition is applied to the PEEC method, powered by a vectorization strategy and an efficient management of the random access memory. It is found that the proposed use of vectorization and compression techniques in the framework of the multiscale block decomposition results in a significant computational speedup of the frequency‐domain analysis of PEEC models. The efficiency and accuracy of the proposed method are demonstrated through its application to two pertinent problems. Copyright © 2014 John Wiley & Sons, Ltd.
Analytical FT‐Raman spectroscopy to chemotype Leptospermum scoparium and generate predictive models for screening for dihydroxyacetone levels in floral nectar
Authors: Nickless Elizabeth M. , Holroyd Stephen E. , Stephens Jonathan M. , Gordon Keith C. , Wargent Jason J.
Published: September 2014

Leptospermum scoparium (Mānuka) is the source of nectar for Unique Mānuka Factor (UMF) honey. The chemical component of interest to this study is dihydroxyacetone (DHA). DHA is the precursor for the chemical methylglyoxyl which is the main chemical responsible for the UMF activity in Manuka honey. Screening commercially bred plants for increased DHA synthesis in L. scoparium is a critical factor in growing the Manuka Honey industry in New Zealand. FT‐Raman spectroscopy, in combination with principal component analysis and partial least squares regression analysis, was investigated as an analytical tool for building a screening model for DHA in the nectar of L. scoparium. Leaf samples of seven cultivars of the species L. scoparium were collected in an attempt to correlate metabolic factors in the plant with DHA synthesis in the nectar. Leaf material was analysed using Fourier transform‐raman spectroscopy (FT‐Raman). The DHA levels in nectar samples of the same cultivars were measured using standard LC‐MS methods. This study showed that the application of multivariate analysis of FT‐Raman spectra from leaf material is a useful tool to screen for DHA potential in L. scoparium. The PLS regression shows that we can screen for DHA concentrations in the range of 3300–7600 mg/kg plus or minus 20% standard error and can distinguish low medium and high DHA synthesis in the group of plants studied. The model for predicting DHA concentrations is influenced by a significant contribution from the spectral variance due to beta‐carotene and other highly scattering compounds that are not directly correlated with UMF. Copyright © 2014 John Wiley & Sons, Ltd.
Different but Similar: Social Comparison of Travel Motives Among Tourists
Authors: Doran Rouven , Larsen Svein , Wolff Katharina
Published: September 2014

Although previous research suggests that people prefer to think of themselves as being authentic (or individualistic) travellers rather than stereotyped tourists, there have been few studies investigating the external validity of such claim. This paper addresses this research gap by investigating tendencies to dissociate the self from typical tourists in terms of travel motivation. Findings suggest that people perceive their own travel motives to be different from those who they perceive as typical tourists and that these tendencies generalize across people involved in different forms of tourism. This paper discusses the results from a social psychological perspective and provides implications for future research and destination management alike. © 2014 The Authors. International Journal of Tourism Research published by John Wiley & Sons, Ltd.
Industrial Laser Materials Processing
Authors: Rath Wolfram , Brettschneider Corinna
Published: September 2014

For more than fourty years, laser technology writes a story of success and a huge number of different applications would not be possible without it. This article reflects the development of the laser technologies for macro materials processing in view of the continued improvement of laser sources and application techniques.
Churning power losses of ordinary gears: a new approach based on the internal fluid dynamics simulations
Authors: Concli Franco , Gorla Carlo , Della Torre Augusto , Montenegro Gianluca
Published: September 2014

The increasing need of more and more efficient gearboxes implies the need of predictive models in order to compare, during the design stage, different design solutions. The models provided by literature are mostly experimentally derived and not accurate on real applications. A new trend suggests the adoption of computational fluid dynamics (CFD) for the calculation of the no‐load losses of gear transmissions. In this sense, literature provides some works, but most of them involve only one single phase. In this paper, the real operating condition in which the gears are immersed in an oil lubricant mixture is studied. Adopting an open‐source code, OpenFOAM®, the influence of some operating and geometrical parameters on the churning losses has been investigated. The aims are both to provide data that can be effectively used by engineers in the design practice and to prove, once again, CFD to be an effective approach for this kind of investigations. Copyright © 2014 John Wiley & Sons, Ltd.
Two Enzyme Cooperatively Catalyzed Tandem Polymerization for the Synthesis of Polyester Containing Chiral (R)‐ or (S)‐Ibuprofen Pendants
Authors: Qian Xueqi , Wang Jianfeng , Li Yanyan , Lin Xianfu , Wu Qi
Published: September 2014

An interesting cooperation between Candida antarctica Lipase B (CAL‐B) and alkaline protease from Bacillus subtilis (BSP) in the copolymerization of bulky ibuprofen‐containing hydroxyacid methyl ester (HAEP) and ε‐caprolactone (ε‐CL) is observed. This cooperation improved the of the polymers from 3130 (CAL‐B) to 9200 g mol–1 (CAL‐B/BSP). Experimental results clearly indicate that CAL‐B mainly catalyzes the ring‐opening polymerization (ROP) of ε‐CL under the initiation of HAEP to form the homopolymer of ε‐CL, while BSP catalyzes the subsequent polycondensation of the ROP product to yield the copolymer with increased molecular weight. Furthermore, using suitable chemo‐enzymatic methods, valuable polyesters with chiral (R)‐ or (S)‐ibuprofen pendants can be tailor‐made.

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Sensory ganglionopathy with livedoid vasculopathy controlled by immunotherapy
Authors: Alix James J.P. , Hadjivassiliou Marios , Ali Rokiahmah , Slater David , Messenger Andrew G. , Rao D. Ganesh
Published: September 2014

Introduction: Livedoid vasculopathy is a rare dermatological condition characterized by painful ulceration, atrophic scarring, and persistent livedo reticularis. The pathogenesis is unclear. Methods: We report a patient with biopsy‐proven livedoid vasculopathy who developed a progressive sensory ganglionopathy with profound sensory ataxia. Serial nerve conduction assessments were undertaken. Results: Combined treatment with prednisolone and mycophenolate mofetil failed to control the ganglionopathy. After addition of rituximab, both symptoms and nerve conduction studies showed stabilization. Conclusions: Sensory ganglionopathies associated with autoimmune and inflammatory conditions may be characterized by a sub‐population of “sick” dorsal root ganglia that can be rescued with aggressive immunotherapy. Muscle Nerve 51: 296–301, 2015
Who Belongs to Me? Social Relationship and Personality Characteristics in the Transition to Young Adulthood
Authors: Wagner Jenny , Lüdtke Oliver , Roberts Brent W. , Trautwein Ulrich
Published: September 2014

Not much is known about how social network characteristics change in the transition out of school and what role Big Five personality plays in this context. The aim of this paper was twofold. First, we explored changes in social network and relationship characteristics across the transition out of secondary school. Second, we examined within–person and between–person effects of personality on these social network changes. Results based on a series of multilevel models to a longitudinal sample of 2287 young adults revealed four main findings. First, social networks increased in size, and this increase was mainly due to a larger number of nonkin. Stable social networks during the transition consisted mainly of family ties but were generally characterized by high closeness. Second, extraversion and openness consistently predicted network size, whereas agreeableness predicted network overlap. Third, increases in emotional closeness were found only for kin; closeness was generally lower for unstable relationships. Fourth, changes in emotional closeness were related to personality, particularly neuroticism, agreeableness, and conscientiousness for stable relationships; for unstable relationships, however, closeness was related to extraversion and openness. The article concludes by discussing the role of personality for social relationship development and the active moulding of social networks in young adulthood. Copyright © 2014 European Association of Personality Psychology
Mycobacterium avium complex (MAC) presenting as the first infection in a child with cystic fibrosis
Authors: Colin Andrew , Basora Elisa , Yousef Shatha
Published: September 2014

Nontuberculous mycobacteria (NTM) have been increasingly recognized in recent years as contributors to clinically significant lung infection in cystic fibrosis (CF) patients. Reports of prevalence vary from 6 to 22% around the world. Prevalence estimates in childhood CF is challenging since sputum producers are rare, bronchoalveolar lavage is an invasive procedure and may not be feasible, and mounting evidence deeming throat cultures to be unsuccessful in detecting NTM. We report a case of an overall healthy 13 year old young adolescent female with CF, who presented with Mycobacterium avium complex (MAC) as her first documented lung infection, and while only presenting with minor cough proved to have severe purulent bronchial infection. Contrary to common paradigms, NTM can be the first infection in a non‐previously infected airway, and, this first infection can be of a serious nature unlike the more subtle anticipated pattern. The causes of the high and probably increasing overall incidence of NTM and specifically in CF elude explanation and mandate further study. Continuing efforts should be invested into the study of all aspects of this ominous infection. Pediatr Pulmonol. 2015; 50:E5–E7. © 2014 Wiley Periodicals, Inc.
Theoretical vibrational optical activity of chiral carbon nanoparticles: Fullerenes and carbon nanotubes
Authors: Nagy Péter R. , Biró László , Koltai János , Surján Péter R. , Szabados Ágnes , Kürti Jenő
Published: September 2014

A theoretical study of the first‐order resonance Raman optical activity (ROA) of a single‐walled carbon nanotube (SWCNT) is presented for the first time. Tight‐binding (TB) Raman and ROA scattering tensors are combined with precise first principles harmonic vibrational modes to obtain scattering intensities. This computational protocol for Raman and ROA spectra has been tested previously for chiral fullerenes, such as C [Nagy et al., J. Chem. Phys. 140, 044112 (2014)]. In the present study, this methodology is validated against density functional theory for the alternative case of C. TB spectral shapes are found to be reliable to determine the absolute configuration of these cage like carbon structures with relatively small curvature. Utilizing the same method, Raman optical activity (ROA) intensities of the (6,5) SWCNT are calculated for three vibrational modes, radial breathing mode (RBM), G, and G. This tube exhibits approximately 5 orders of magnitude stronger ROA intensity compared to typical chiral molecules.
A design of disturbance observer in standard H∞ control framework
Authors: Su J. , Wang L. , Yun J. N.
Published: September 2014

The disturbance observer (DOB)‐based controller is widely used to estimate and suppress disturbance in motion control system. Because the low‐pass filter (Q‐filter) in DOB decides the performances of disturbance suppression, noise rejection, and robust stability against system uncertainties, design of Q‐filter is the principal task in DOB construction. This paper presents a systematic scheme for Q‐filter design based on H∞ norm optimization. Cost function for optimization is proposed by considering performance and relative order condition of the Q‐filter. The norm minimization problem is then transformed to a standard H∞ control problem. Furthermore, the relationship between performance and frequency weighting functions is investigated based on which selection of weighting functions is presented. Simulation results validate the global optimality and systematicness of the proposed method. Copyright © 2014 John Wiley & Sons, Ltd.