bluuebunny/crossref_metadata_2025 huggingface dataset:
Second‐derivative synchronous spectrofluorimetric determination of nebivolol hydrochloride and amlodipine besylate in their combined dosage form
Authors: Ibrahim F. , El‐Enany N. , Shalan SH , Abo Shabana R. A.
Published: February 2015

A rapid, simple, accurate and highly sensitive spectrofluorimetric method was developed for the simultaneous analysis of nebivolol hydrochloride (NEB) and amlodipine besylate (AML). The method was based on measuring the synchronous fluorescence intensity of the drugs at Δλ = 40 nm in methanol. Various experimental parameters affecting the synchronous fluorescence of the studied drugs were carefully studied and optimized. The calibration plots were rectilinear over concentration ranges of 0.05–1.5 µg/mL and 0.5–10 µg/mL for NEB and AML with limits of detection (LOD) of 0.010 and 0.051 µg/mL and limits of quantitation (LOQ) of 0.031 and 0.156, respectively. The peak amplitudes (2D) of the second derivative synchronous fluorimetry (SDSF) were estimated at 282 nm for NEB and at 393 nm for AML. Good linearity was obtained over the concentration ranges. The proposed method was successfully applied to the determination of the studied compounds in laboratory‐prepared mixtures, commercial single and laboratory‐prepared tablets. The results were in good agreement with those obtained using the comparison method. The mean percent recoveries were found to be 100.12 ± 0.77 and 99.91 ± 0.77 for NEB and AML, respectively. Copyright © 2015 John Wiley & Sons, Ltd.
Association between serum level of ubiquinol and NT‐proBNP, a marker for chronic heart failure, in healthy elderly subjects
Authors: Onur Simone , Niklowitz Petra , Jacobs Gunnar , Lieb Wolfgang , Menke Thomas , Döring Frank
Published: February 2015

Ubiquinone and ubiquinol represent the oxidized and reduced forms of Coenzyme Q10 (CoQ10). CoQ10 is present in membranes of almost all human tissues and organs, with highest concentration in the heart. In patients with heart failure, serum levels of the N‐terminal pro‐brain natriuretic peptide (NT‐proBNP) are an indicator of disease severity. Here, we investigated the relationship between serum levels of CoQ10 and NT‐proBNP in healthy volunteers of an elderly study population (mean age 52 years, n = 871). We found a negative association between serum levels of ubiquinol and NT‐proBNP (P < 0.001). Accordingly, the CoQ10 redox state (% oxidized form of CoQ10) is positively associated with serum NT‐proBNP level (P < 0.001). Compared to patients who survived a myocardial infarction (n = 21), healthy subjects have lower NT‐proBNP level (500.39 ± 631.28 pg/ml vs. 76.90 ± 120.27 pg/ml, P < 0.001), higher ubiquinol serum level (0.43 ± 0.19 µmol/L vs. 0.71 ± 0.32 µmol/L; P < 0.001), and a lower CoQ10 redox state (27.6 ± 13.8% vs. 17.6 ± 10.1%; P < 0.001). Interestingly, ubiquinol supplementation (150 mg/day; 14 day; n = 53) slightly reduces the expression of CLCN6, a gene related to NT‐proBNP level. In summary, higher serum levels of ubiquinol are associated with lower serum NT‐proBNP levels in healthy elderly subjects. However, to what extent a high serum level of ubiquinol is a protective factor for heart failure remains to be elucidated in prospective studies. © 2015 BioFactors, 41(1):35–43, 2015
The Concept of Identification in Threat Assessment
Authors: Meloy J. Reid , Mohandie Kris , Knoll James L. , Hoffmann Jens
Published: February 2015

Identification is one of eight warning behaviors—superordinate patterns of accelerating risk—that are theorized to correlate with targeted violence, and have some empirical validation. It is characterized by one or more of five characteristics: pseudo‐commando behavior, evidence of a warrior mentality, a close association with weapons or other military or law enforcement paraphernalia, wanting to imitate and often surmount previous attackers or assassins, or believing oneself to be an agent to advance a particular cause or belief system. The authors briefly explore the history of the psychology of identification, its current usage, and its application to threat assessment. Four cases are used to illustrate identification as both a process and a product, and a likely motive for targeted violence in some subjects. Its operational relevance for threat assessment is suggested. Copyright © 2015 John Wiley & Sons, Ltd.
Oregon's Gun Relief Program for Adjudicated Mentally Ill Persons: The Psychiatric Security Review Board
Authors: Britton Juliet , Bloom Joseph D.
Published: February 2015

This article describes the State of Oregon's implementation of two programs designed to comply with federal gun laws regarding reporting individuals who have received mental health adjudications in criminal and civil courts. One mandate requires that states submit names of adjudicated individuals to the National Instant Criminal Background Check System (NICS) while the second requires that the state establish a qualifying gun restoration program for those disqualified from gun ownership. In 2009, Oregon's Legislature developed an administrative approach to gun restoration and assigned the responsibility for conducting these hearing to the Oregon Psychiatric Security Review Board (PSRB). The PSRB is a state administrative board that has existed since 1977 and has been primarily focused on the supervision and treatment of adult and juvenile insanity acquittees. The gun restoration program began in 2010, but to date has only received three completed petitions requesting restoration of firearm rights. The article concludes with a discussion that surmises why very few of the Oregonians who are listed in NICS have submitted petitions for relief. Copyright © 2015 John Wiley & Sons, Ltd.
Feasibility of implementing molecular‐guided therapy for the treatment of patients with relapsed or refractory neuroblastoma
Authors: Saulnier Sholler Giselle L. , Bond Jeffrey P. , Bergendahl Genevieve , Dutta Akshita , Dragon Julie , Neville Kathleen , Ferguson William , Roberts William , Eslin Don , Kraveka Jacqueline , Kaplan Joel , Mitchell Deanna , Parikh Nehal , Merchant Melinda , Ashikaga Takamaru , Hanna Gina , Lescault Pamela Jean , Siniard Ashley , Corneveaux Jason , Huentelman Matthew , Trent Jeffrey
Published: February 2015

The primary objective of the study was to evaluate the feasibility and safety of a process which would utilize genome‐wide expression data from tumor biopsies to support individualized treatment decisions. Current treatment options for recurrent neuroblastoma are limited and ineffective, with a survival rate of <10%. Molecular profiling may provide data which will enable the practitioner to select the most appropriate therapeutic option for individual patients, thus improving outcomes. Sixteen patients with neuroblastoma were enrolled of which fourteen were eligible for this study. Feasibility was defined as completion of tumor biopsy, pathological evaluation, RNA quality control, gene expression profiling, bioinformatics analysis, generation of a drug prediction report, molecular tumor board yielding a treatment plan, independent medical monitor review, and treatment initiation within a 21 day period. All eligible biopsies passed histopathology and RNA quality control. Expression profiling by microarray and RNA sequencing were mutually validated. The average time from biopsy to report generation was 5.9 days and from biopsy to initiation of treatment was 12.4 days. No serious adverse events were observed and all adverse events were expected. Clinical benefit was seen in 64% of patients as stabilization of disease for at least one cycle of therapy or partial response. The overall response rate was 7% and the progression free survival was 59 days. This study demonstrates the feasibility and safety of performing real‐time genomic profiling to guide treatment decision making for pediatric neuroblastoma patients.
Synthesis of Core–Shell Structured LiFe0.5Mn0.3Co0.2PO4@C with Remarkable Electrochemical Performance as the Cathode of a Lithium‐Ion Battery
Authors: Zhong Yanjun , Wu Zhenguo , Li Juntao , Xiang Wei , Guo Xiaodong , Zhong BenHe , Sun Shigang
Published: February 2015

A carbon‐coated ternary olivine solid solution LiFe0.5Mn0.3Co0.2PO4 composite was synthesized by using a facile rheological phase reaction with stearic acid as the carbon source. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) characterization indicated that the core–shell structured LiFe0.5Mn0.3Co0.2PO4@C nanoplatelets are about 50 to 120 nm in size and have a quite uniform and complete carbon coating layer (4 nm thick). This uniform carbon layer not only improves the electronic conductivity of the materials, but also preserves the active material from corrosion by the electrolyte. The material was used as the electrode of a lithium‐ion battery and exhibited outstanding electrochemical performance, including good capacity and stable cycling behavior. It delivers a reversible discharge capacity of 146.7 mA h g−1 at 0.1 C. In addition, a discharge capacity of 110.5 mA h g−1 at 1 C was still maintained after 100 cycles with capacity retention of 90.6 %.
Osteochondroma in long‐term survivors of high‐risk neuroblastoma
Authors: Kushner Brian H. , Roberts Stephen S. , Friedman Danielle N. , Kuk Deborah , Ostrovnaya Irina , Modak Shakeel , Kramer Kim , Basu Ellen M. , Cheung Nai‐Kong V.
Published: February 2015

BACKGROUND

Osteochondromas are benign bony protrusions that can be spontaneous or associated with radiotherapy (RT). Current treatment of high‐risk neuroblastoma includes dose‐intensive chemotherapy, local RT, an anti‐GD2 monoclonal antibody (MoAb), and isotretinoin. Late effects are emerging.

METHODS

The authors examined osteochondromas in 362 patients who were aged <10 years when diagnosed with neuroblastoma, had received a MoAb plus isotretinoin since 2000, and had survived >24 months from the time of the first dose of the MoAb. The incidence rate of osteochondroma was determined using the competing risks approach, in which the primary event was osteochondroma calculated from the date of neuroblastoma diagnosis and the competing event was death without osteochondroma.

RESULTS

A total of 21 osteochondroma cases were found among 14 patients who were aged 5.7 to 15.3 years (median, 10.4 years) and 3.1 to 11.2 years (median, 8.2 years) from the time of neuroblastoma diagnosis. The cumulative incidence rate was 0.6% at 5 years and 4.9% at 10 years from the neuroblastoma diagnosis. Nine osteochondromas were revealed incidentally during assessments of neuroblastoma disease status or bone age. Thirteen osteochondromas were detected outside RT portals and had characteristics of spontaneous forms. Complications were limited to pain necessitating surgical resection in 3 patients, but follow‐up was short at 0.3 to 7.7 years (median, 3.5 years).

CONCLUSIONS

Osteochondromas in long‐term survivors of neuroblastoma should be expected because these benign growths can be related to RT and these patients undergo radiologic studies over years, are monitored for late toxicities through and beyond adolescence, and receive special attention (because of concerns about disease recurrence) if they develop a bony protuberance. A pathogenic role for chemotherapy, anti‐GD2 MoAbs, or isotretinoin remains speculative. Cancer 2015. © 2015 American Cancer Society. Cancer 2015;121:2090–2096. © 2015 American Cancer Society.
Finite element evaluation of the effect of fingertip geometry on contact pressure during flat contact
Authors: Harih Gregor , Tada Mitsunori
Published: February 2015

Several studies investigated the mechanical loads developing in the hands during the use of various products in order to enhance user's performance, increase satisfaction and lower the risk of acute and cumulative trauma disorders. Values of pressure discomfort (PDT) and pressure‐pain threshold (PPT) were, hence, provided. PDT and PPT may differ significantly for each subject and area of the hand because of psychological and physiological factors. A finite element study of the effect of fingertip anthropometry and anatomy geometry on mechanical loads developed during grasping is carried out in this research in order to assess physiological aspects behind variations of PDT and PPT existing between different subjects. It is found that the underlying anatomical structure and geometry (especially of the bone) significantly affect contact pressure distributions and pressure peak values. The largest difference in peak contact pressure between two different fingertips was in fact 27% for the same applied force. Furthermore, contact pressure distributions varied significantly between different subjects. The findings of this research provide novel insight into the phenomena of human grasping and the variation of contact pressure from subject to subject. Copyright © 2015 John Wiley & Sons, Ltd.
Drain Current in Poly(3‐hexylthiophene) Solutions during Film Formation: Correlations to Structural Changes
Authors: Park Min Sang , Aiyar Avishek , Park Jung Ok , Reichmanis Elsa , Srinivasarao Mohan
Published: February 2015

Concurrent in situ Raman spectroscopic studies and drain current measurements were performed during drop‐cast poly(3‐hexylthiophene) (P3HT) film formation. Together, these techniques allow interrogation and elucidation of the evolution of P3HT structural changes and associated electrical characteristics as the solvent evaporates. Two observations are especially significant: i) solvent continued to be present in the developing thin‐film at the point where the drain current exhibited a sharp increase and ii) continued to be observed after crystallization of the polymer. The in situ studies provide vital insights into the polymer organization and chain alignment processes at the molecular and macroscopic scales. The results suggest that final conjugated polymer thin‐film morphology can be tailored for enhanced performance and desired electronic properties through quenching of the active polymer layer at a specified time during the solidification process.
Graphene Oxide Wrapping of Gold–Silica Core–Shell Nanohybrids for Photoacoustic Signal Generation and Bimodal Imaging
Authors: Sreejith Sivaramapanicker , Joseph James , Nguyen Kim Truc , Murukeshan Vadakke Matham , Lye Sun Woh , Zhao Yanli
Published: February 2015

We report the development of graphene oxide (GO) wrapped silica‐coated gold nanoparticles (GO‐AuNP@SiO2), which exhibit an unprecedented absorption enhancement in the visible region of the electromagnetic spectrum. GO coating on the core–shell nanohybrid enhances residual plasmonic absorption of the nanohybrid while maintaining its compact size. Finite‐difference time domain simulations show an electromagnetic field intensity enhancement owing to GO wrapping over three different gold cores with 10, 20 and 30 nm in diameter and uniform silica thickness of 30 nm. Bimodal imaging using fluorescent microbeads reveals an enhanced photoacoustic signal from GO‐AuNP@SiO2 in an integrated photoacoustic and fluorescence imaging setup. Present approach provides a fundamental platform for photoacoustic signal generation using plasmonic nanoparticles with low toxicity. This unique strategy opens up new avenues for enhancing photoacoustic signals and for combined fluorescence and photoacoustic imaging.
The influence of color on student emotion, heart rate, and performance in learning environments
Authors: AL‐Ayash Aseel , Kane Robert T. , Smith Dianne , Green‐Armytage Paul
Published: February 2015

In this study, six colors (vivid red, vivid blue, vivid yellow, pale red, pale blue, and pale yellow†) were manipulated in a simulated study environment to determine their effects on university students' learning performance, emotions, and heart rate. It was hypothesized that learning, physiological and emotional states would be affected by different colors in private study spaces. A total of 24 undergraduate and postgraduate students participated in this study. The dependent variables were reading task performance, emotional responses, and changes in heart rate. The results showed that, although participants assessed the situation as relaxed, calm, and pleasant in the pale color conditions, reading scores were significantly higher in the vivid color conditions. Heart rates were significantly affected by hue; they increased in the red and yellow conditions. In addition, the results suggested that, regardless of the degree of whiteness, the hue had a significant impact on participants' emotions; blue increased relaxation and calmness feelings of participants compared to the other colors. Implications of these findings and suggestions for further research are discussed. © 2015 Wiley Periodicals, Inc. Col Res Appl, 41, 196–205, 2016
Exploring the Electronic Structure of an Organic Semiconductor Based on a Compactly Fused Electron Donor–Acceptor Molecule
Authors: Alemany Pere , Canadell Enric , Geng Yan , Hauser Jürg , Macchi Piero , Krämer Karl , Decurtins Silvio , Liu Shi‐Xia
Published: February 2015

A Mott‐type semiconductor based on a compactly fused and partially oxidized electron donor–acceptor (D–A) molecule was recently prepared and identified to exhibit a large room‐temperature conductivity of 2 S cm−1. In a marked contrast to the organic conductors characterized by relatively well decoupled and segregated uniform stacks of D and A moieties, the formally half‐oxidized tetrathiafulvalene donors of the actual compound are organized in columnar π stacks only, whereby the coplanar electron‐acceptor units, namely benzothiadiazole, are closely annulated along their ridges. Herein, we present a theoretical study that explores the electronic structure of this novel type of organic semiconductor. The highly symmetric‐solid state material behaves as a one‐dimensional electronic system with strong antiferromagnetic interactions (coupling constant>200 cm−1). The unique shape and local dipole of this redox‐active fused electron D–A molecule lays the basis for further investigations of the collective electronic structure, mainly in the function of different counterions embedded in the crystalline lattice.
Discharge Performance of Solid‐State Oxygen Shuttle Metal–Air Battery Using Ca‐Stabilized ZrO2 Electrolyte
Authors: Inoishi Atsushi , Kim Hack‐Ho , Sakai Takaaki , Ju Young‐Wan , Ida Shintaro , Ishihara Tatsumi
Published: February 2015

The effects of metal choice on the electrochemical performance of oxygen‐shuttle metal–air batteries with Ca‐stabilized ZrO2 (CSZ) as the electrolyte and various metals as the anodes were studied at 1073 K. The equilibrium oxygen partial pressure (P) in the anode chamber was governed by the metal used in the anode chamber. A lower‐P environment in the anode decreased the polarization resistance of the anode. The oxidation of oxide ions to oxygen in the anode is drastically enhanced by the n‐type conduction generated in the CSZ electrolyte when it is exposed to a reducing atmosphere. A high discharge potential and high capacity can be achieved in an oxygen‐shuttle battery with a Li or Mg anode because of the fast anode reaction compared to that of cells with a Zn, Fe, or Sn anode. However, only the mildly reducing metals (Zn, Si, Fe, and Sn) can potentially be used in rechargeable metal–air batteries because the transport number of the CSZ electrolyte must be unity during charge and discharge. Oxygen shuttle rechargeable batteries with Fe, and Sn electrodes are demonstrated.
Classical‐Map Hypernetted Chain Calculations for Dense Plasmas
Authors: Bredow R. , Bornath Th. , Kraeft W.‐D. , Dharma‐wardana M.W.C. , Redmer R.
Published: February 2015

Warm dense matter is of interest for modeling the interiors of planets and Brown Dwarfs. Corresponding pump‐probe experiments are performed at free electron laser facilities such as FLASH, LCLS or the future XFEL in Hamburg. X‐ray Thomson scattering is of special interest to extract the plasma parameters. In order to explain or predict the X‐ray Thomson scattering spectra, simulations on the structural properties of plasmas are performed. While ab initio simulations are computationally expensive, semi‐classical approaches can deliver results fast for pair distribution functions and static structure factors, even for dense systems. We solve the Ornstein‐Zernike equation within the hypernetted chain approximation for dense multi‐component plasmas using the classical‐map method. This approach proposes to treat the quantum features of the electrons using an adapted temperature for the electron system while the ions are treated classically. Results for pair distribution functions and static structure factors are presented for dense hydrogen, beryllium, carbon and CH plasmas. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Two‐Temperature Pair Potentials and Phonon Spectra for Simple Metals in the Warm Dense Matter Regime
Authors: Harbour L. , Dharma‐wardana M. W. C. , Klug D. D. , Lewis L. J.
Published: February 2015

We develop ion‐ion pair potentials for Al, Na and K for densities and temperatures relevant to the warm‐densematter (WDM) regime. Furthermore, we emphasize non‐equilibrium states where the ion temperature Ti differs from the electron temperature Te. This work focuses mainly on ultra‐fast laser‐metal interactions where the energy of the laser is almost exclusively transferred to the electron sub‐system over femtosecond time scales. This results in a two‐temperature system with Te > Ti and with the ions still at the initial room temperature Ti = Tr. First‐principles calculations, such as density functional theory (DFT) or quantum Monte Carlo, are as yet not fully feasible for WDM conditions due to lack of finite‐T features, e.g. pseudopotentials, and extensive CPU time requirements. Simpler methods are needed to study these highly complex systems. We propose to use two‐temperature pair potentials Uii(r, Ti, Te) constructed from linear‐response theory using the non‐linear electron density n (r) obtained from finite‐T DFT with a single ion immersed in the appropriate electron fluid. We compute equilibrium phonon spectra at Tr which are found to be in very good agreement with experiments. This gives credibility to our non‐equilibrium phonon dispersion relations which are important in determining thermophysical properties, stability, energy‐relaxation mechanisms and transport coefficients. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Deciphering the impact of parameters influencing transgene expression kinetics after repeated cell transduction with integration‐deficient retroviral vectors
Authors: Schott Juliane W. , Jaeschke Nico M. , Hoffmann Dirk , Maetzig Tobias , Ballmaier Matthias , Godinho Tamaryin , Cathomen Toni , Schambach Axel
Published: February 2015

Lentiviral and gammaretroviral vectors are state‐of‐the‐art tools for transgene expression within target cells. The integration of these vectors can be deliberately suppressed to derive a transient gene expression system based on extrachromosomal circular episomes with intact coding regions. These episomes can be used to deliver DNA templates and to express RNA or protein. Importantly, transient gene transfer avoids the genotoxic side effects of integrating vectors. Restricting their applicability, episomes are rapidly lost upon dilution in dividing target cells. Addressing this limitation, we could establish comparably stable percentages of transgene‐positive cells over prolonged time periods in proliferating cells by repeated transductions. Flow cytometry was applied for kinetic analyses to decipher the impact of individual parameters on the kinetics of fluoroprotein expression after episomal retransduction and to visualize sequential and simultaneous transfer of heterologous fluoroproteins. Expression windows could be exactly timed by the number of transduction steps. The kinetics of signal loss was affected by the cell proliferation rate. The transfer of genes encoding fluoroproteins with different half‐lives revealed a major impact of protein stability on temporal signal distribution and accumulation, determining optimal retransduction intervals. In addition, sequential transductions proved broad applicability in different cell types and using different envelope pseudotypes without receptor overload. Stable percentages of cells coexpressing multiple transgenes could be generated upon repeated coadministration of different episomal vectors. Alternatively, defined patterns of transgene expression could be recapitulated by sequential transductions. Altogether, we established a methodology to control and adjust a temporally defined window of transgene expression using retroviral episomal vectors. Combined with the highly efficient cell entry of these vectors while avoiding integration, the developed technology is of great significance for a broad panel of applications, including transcription‐factor‐based induced cell fate conversion and controlled transfer of genetically encoded RNA‐ or protein‐based drugs. © 2015 International Society for Advancement of Cytometry
A temperature shock can lead to trans‐generational immune priming in the Red Flour Beetle, Tribolium castaneum
Authors: Eggert Hendrik , Diddens‐de Buhr Maike F. , Kurtz Joachim
Published: February 2015

Trans‐generational immune priming (TGIP) describes the transfer of immune stimulation to the next generation. As stress and immunity are closely connected, we here address the question whether trans‐generational effects on immunity and resistance can also be elicited by a nonpathogen stress treatment of parents. General stressors have been shown to induce immunity to pathogens within individuals. However, to our knowledge, it is as of yet unknown whether stress can also induce trans‐generational effects on immunity and resistance. We exposed a parental generation (mothers, fathers, or both parents) of the red flour beetle Tribolium castaneum, a species where TGIP has been previously been demonstrated, to either a brief heat or cold shock and examined offspring survival after bacterial infection with the entomopathogen Bacillus thuringiensis. We also studied phenoloxidase activity, a key enzyme of the insect innate immune system that has previously been demonstrated to be up‐regulated upon TGIP. We quantified parental fecundity and offspring developmental time to evaluate whether trans‐generational priming might have costs. Offspring resistance was found to be significantly increased when both parents received a cold shock. Offspring phenoloxidase activity was also higher when mothers or both parents were cold‐shocked. By contrast, parental heat shock reduced offspring phenoloxidase activity. Moreover, parental cold or heat shock delayed offspring development. In sum, we conclude that trans‐generational priming for resistance could not only be elicited by pathogens or pathogen‐derived components, but also by more general cues that are indicative of a stressful environment. The interaction between stress responses and the immune system might play an important role also for trans‐generational effects.
Imidazolium 1,3‐Benzazaphospholide Ion Pairs with Strong C–H···N Hydrogen Bonds – Synthesis, Structures, and Reactivity
Authors: Pi Chengfu , Yu Xiaoling , Zheng Wenjun
Published: February 2015

The treatment of 2‐phenyl‐1H‐1,3‐benzazaphosphole (H[2‐ph‐bp], 1) with free 1,3‐bis(2,4,6‐trimethylphenyl)imidazol‐2‐ylidene (IMes, 2) and 1,3‐bis(2,4,6‐trimethylphenyl)‐4,5‐dihydroimidazol‐2‐ylidene (SIMes, 3) afforded two imidazolium 1,3‐benzazaphospholides, [1,3‐bis(2,4,6‐trimethylphenyl)imidazolium 2‐phenyl‐1,3‐benzazaphospholide [(IMesH)+(2‐ph‐bp)–, 4] and 1,3‐bis(2,4,6‐trimethylphenyl)‐4,5‐dihydroimidazolium 2‐phenyl‐1,3‐benzazaphospholide [(SIMesH)+(2‐ph‐bp)–, 5], which further reacted with carbodiimide to give 2‐(N,N′‐diisopropylcarbamimidoyl)‐1,3‐bis(2,4,6‐trimethylphenyl)imidazolium 2‐phenyl‐1,3‐benzazaphospholide (6) and 2‐(N,N′‐diisopropylcarbamimidoyl)‐1,3‐bis(2,4,6‐trimethylphenyl)‐4,5‐dihydroimidazolium 2‐phenyl‐1,3‐benzazaphospholide (7), respectively. These compounds were characterized by multinuclear (1H, 13C{1H}, and 31P{1H}) NMR and IR spectroscopy, and X‐ray diffraction analysis. The structures feature ion pair conformation in the solid state with strong charge‐assisted C–H···N or N–H···N interaction.
Synthesis of Trifluoromethyl‐Containing Polysubstituted Aromatic Compounds by Diels–Alder Reaction of Ethyl 3‐Benz­amido‐2‐oxo‐6‐(trifluoromethyl)‐2H‐pyran‐5‐carboxylate
Authors: Kondratov Ivan S. , Tolmachova Nataliya A. , Dolovanyuk Violetta G. , Gerus Igor I. , Daniliuc Constantin‐Gabriel , Haufe Günter
Published: February 2015

Diels–Alder reactions of ethyl 3‐benzamido‐2‐oxo‐6‐(trifluoromethyl)‐2H‐pyran‐5‐carboxylate (1a) with electronically different dienophiles, including cyclic enol ethers, cycloalkenes, α,β‐unsaturated ketones, and terminal acetylenes, are useful for the efficient and selective three‐step preparation of trifluoromethyl‐containing aromatic compounds such as 3‐aminobenzoic acid derivatives. We presume that the presence of the trifluoromethyl group is the main factor in determining the regioselectivity of the initial cycloaddition.
Determination of key flavonoid aglycones by means of nano‐LC for the analysis of dietary supplements and food matrices
Authors: Fanali Chiara , Rocco Anna , D'Orazio Giovanni , Dugo Laura , Mondello Luigi , Aturki Zeineb
Published: February 2015

A method for the analysis of flavonoids (myricetin, quercetin, naringenin, hesperitin, and kaempferol), with interesting bioactivity, has been developed and validated utilizing nano‐LC technique. In order to find optimal conditions, capillary columns (75 μm id × 10 cm) packed with different types of stationary phases, Kinetex® C18 core–shell (2.6 μm particle size), Hydride‐based RP‐C18 (sub‐2 μm particle size), and LiChrospher® 100 RP‐18 endcapped (5 μm particle size) were evaluated. The method was validated using Hydride‐based RP‐C18 stationary phase, with sub‐2 μm particle size. A good chromatographic performance, expressed in terms of repeatability (RSD, in the range 1.63–4.68% for peak area), column‐to‐column reproducibility (RSD not higher than 8.01% for peak area), good linearity and sensitivity was obtained. In particular limit of detection values between 0.07 and 0.31 μg/mL were achieved with on column focusing technique. The method was applied to the determination of studied flavonoids in dietary supplements as well as in food matrices. The amount of quercetin found in the first analyzed dietary supplement, was in agreement to the labeled content. In the other samples, where the content of flavonoids was not labeled, most of the studied flavonoids were determined in amounts somewhere comparable to those reported in literature.
Thermal degradation of polyesters filled with magnesium dihydroxide and magnesium oxide
Authors: Viretto Amandine , Sonnier Rodolphe , Taguet Aurélie , Otazaghine Belkacem , Ferry Laurent , Lopez‐Cuesta Jose‐Marie , Lagrève Christian
Published: February 2015

Magnesium dihydroxide (MDH) was evaluated as char promoter into different polymers exhibiting various chemical structures. Char promotion was characterized using thermogravimetric analysis and pyrolysis‐combustion flow calorimetry. Gases released during pyrolysis were identified using pyrolysis coupled gas chromatography/mass spectrometry and thermogravimetric analysis coupled Fourier transform infrared spectroscopy. Relationships between the MDH effect (according to the char content and its thermal stability) and the chemical structure of the host polymers were identified. It was shown that MDH can be a good char promoter for aromatic polyesters such as polybutylene terephtalate and polyethylene terephtalate. Char promotion can be considered as one of the main mode‐of‐action of MDH at low or moderate filler content. An optimum was observed at approximately 20wt.% of MDH. Magnesium oxide was also studied as substitute to MDH to avoid hydrolysis phenomena due to the water release. But it was demonstrated that MDH was more efficient as a char promoter for polybutylene terephtalate than magnesium oxide. Copyright © 2015 John Wiley & Sons, Ltd.
Forecasting Multivariate Time Series with the Theta Method
Authors: Thomakos Dimitrios D. , Nikolopoulos Konstantinos
Published: February 2015

In this study building on earlier work on the properties and performance of the univariate Theta method for a unit root data‐generating process we: (a) derive new theoretical formulations for the application of the method on multivariate time series; (b) investigate the conditions for which the multivariate Theta method is expected to forecast better than the univariate one; (c) evaluate through simulations the bivariate form of the method; and (d) evaluate this latter model in real macroeconomic and financial time series. The study provides sufficient empirical evidence to illustrate the suitability of the method for vector forecasting; furthermore it provides the motivation for further investigation of the multivariate Theta method for higher dimensions. Copyright © 2015 John Wiley & Sons, Ltd.
Characterization of a Cu‐La0.75Sr0.25Cr0.5Mn0.5O3 ‐CeO2/La0.75Sr0.25Cr0.5Mn0.5O3‐YSZ/Ni‐ScSZ Three‐Layer Structure Anode in Thin Film Solid Oxide Fuel Cell Running on Methane Fuel
Authors: Huang B. , Gu X.‐Z. , Hu Y.‐X. , Liu Y.‐B. , Zhou W.‐T. , Hou C.‐Y. , Zhu X.‐J.
Published: February 2015

Anodes for Solid Oxide Fuel Cell that is capable of directly using hydrocarbon without external reforming have been of great interest recently. In this paper, a three‐layer structure anode running on methane is fabricated by tape casting and screen printing method. The slurry of catalyst layer Cu‐LSCM‐CeO2 (with weight ratios of 1.5:7.0:1.5, 2.0:7.0:1.0, 2.15:7.0:0.85 and 2.25:7.0:0.75, weight ratios of Cu/CeO2 is 1:1, 2:1, 2.5:1 and 3:1, respectively) is screen‐printed on LSCM‐YSZ support layer and Ni‐ScSZ active layer. Thus, LSCM‐YSZ/Ni‐ScSZ anodes with Cu‐LSCM‐CeO2 catalyst layer (denoted as LSCM‐YSZ1010, LSCM‐YSZ2010, LSCM‐YSZ2510 and LSCM‐YSZ3010, respectively) are obtained. Single cells with three‐layer structure anode are also fabricated and measured, of which the maximum power density reaches 491 and 670 mW cm−2 for the cell with LSCM‐YSZ2510 anode running on methane at 750 °C and 800 °C, respectively. No significant degradation in performance has been observed after 240h of cell testing when LSCM‐YSZ2510 anode is exposed to methane at 750 °C. Very little carbon deposition is detected on the anode, suggesting that carbon deposition is limited during cell operation. Consequently, Cu‐LSCM‐CeO2 catalyst layer on the surface of LSCM‐YSZ support layer makes it possible to have good stability for long‐term operation in methane due to very little carbon deposition.
Effects of Manganese Oxide Addition on Coking Behavior of Ni/YSZ Anodes for SOFCs
Authors: Chung Y. S. , Kim H. , Yoon H. C. , Chung J. S. , Sammes N. M.
Published: February 2015

Solid oxide fuel cells with Ni‐MnO/yttria‐stabilized‐zirconia (YSZ) tricomposite anode supports were fabricated with different MnO concentrations, and the coking tolerances and catalytic activities were investigated in wet CH4 atmosphere. Ni0.9(MnO)0.1/YSZ (10MnO) anode support cell exhibited a maximum power density of 210, 354, 505, and 620 mWcm−2 at 700, 750, 800, and 850 °C, respectively, in H2. Moreover, a maximum power density in wet CH4 reaches 504 mWcm−2 at 800 °C; while the Ni/YSZ cell showed poorer performances. The coking tolerance improved with an increase in their MnO content, and the 10MnO anode showed the highest tolerance. 10MnO exhibited stable performance for more than 40 h in wet CH4 without undergoing deactivation. Furthermore, it showed negligible coke formation of 0.0045 g of coke per catalyst, during testing under steam reforming‐like conditions at a steam‐to‐carbon (S/C) ratio of 1. Outlet gas chromatography analysis indicated that MnO suppresses CH4 cracking, while only minimally lowering the catalytic activity of steam reforming. Thus, it can be inferred that MnO promotes the adsorption of steam and oxygen on the reaction sites, owing to its high basicity and oxygen storage capacity. The increase in the local S/C and oxygen‐to‐carbon ratios suppresses CH4 cracking and promotes coke gasification.
Ludwig von Bertalanffy's organismic view on the theory of evolution
Authors: Drack Manfred
Published: February 2015

Ludwig von Bertalanffy was a key figure in the advancement of theoretical biology. His early considerations already led him to recognize the necessity of considering the organism as a system, as an organization of parts and processes. He termed the resulting research program organismic biology, which he extended to all basic questions of biology and almost all areas of biology, hence also to the theory of evolution. This article begins by outlining the rather unknown (because often written in German) research of Bertalanffy in the field of theoretical biology. The basics of the organismic approach are then described. This is followed by Bertalanffy's considerations on the theory of evolution, in which he used methods from theoretical biology and then introduced his own, organismic, view on evolution, leading to the demand for finding laws of evolution. Finally, his view on the concept of homology is presented.J. Exp. Zool. (Mol. Dev. Evol.) 324B: 77–90, 2015. © 2015 The Authors.Journal of Experimental Zoology Part B: Molecular and Developmental Evolutionpublished by Wiley Periodicals, Inc.
Butyrate prevents muscle atrophy after sciatic nerve crush
Authors: Walsh Michael E. , Bhattacharya Arunabh , Liu Yuhong , Van Remmen Holly
Published: February 2015

Introduction: Histone deacetylases (HDACs) have been implicated in neurogenic muscle atrophy, but the mechanisms by which HDAC inhibitors might have beneficial effects are not defined. Methods: We used sciatic nerve crush to determine the effect of butyrate on denervation‐induced gene expression and oxidative stress. Results: Butyrate treatment initiated 3 weeks before injury and continued 1 week after injury increases histone acetylation and reduces muscle atrophy after nerve crush. Butyrate delivered only after nerve crush similarly prevented muscle atrophy. Butyrate had no effect on the increase in histone deacetylase 4 (HDAC4) protein levels following nerve crush but prevented the increase in expression of myogenin, MuRF1, and atrogin‐1. Butyrate did not affect mitochondrial reactive oxygen species production, but it increased antioxidant enzyme activity, reduced proteasome activity, and reduced oxidative damage following nerve injury. Conclusions: These data suggest that HDAC inhibitors are promising pharmacological agents for treating neurogenic muscle atrophy. Muscle Nerve 52: 859–868, 2015
Follow‐up nerve conduction studies in CIDP after treatment with IGIV‐C: Comparison of patients with and without subsequent relapse
Authors: Chin Russell L. , Deng chunqin , Bril Vera , Hartung Hans‐Peter , Merkies Ingemar S. J. , Donofrio Peter D. , Van Doorn Pieter A. , Dalakas Marinos C. , Latov Norman
Published: February 2015

Introduction: Electrodiagnostic studies (EDX) are not performed routinely before treatment suspension in CIDP, and no data exist regarding their value in predicting clinical relapse. Methods: Serial EDX (baseline and after IGIV‐C therapy) were analyzed from subjects in the ICE clinical trial who responded to IGIV‐C treatment and were subsequently re‐randomized to placebo in an extension phase. Comparisons were made between subjects who relapsed and those who did not. Results: A total of 55% (6/11) of the Relapse group had an increase in total number of demyelinating findings (DF) versus 8% (1/13) in the No Relapse group (P = 0.023). In the Relapse group, 100% had ≥1 new DF and 73% (8/11) had ≥4 new DF versus 60% (8/13) and 8% (1/13), respectively, in the No Relapse group. Conclusions: An increased total number of DF or the occurrence of ≥4 new DF may indicate a higher risk of clinical relapse after treatment cessation in IGIV‐C‐responsive patients. Muscle Nerve 52: 498–502, 2015
STEM‐CL investigations on the influence of stacking faults on the optical emission of cubic GaN epilayers and cubic GaN/AlN multi‐quantum wells
Authors: Kemper R. M. , Veit P. , Mietze C. , Dempewolf A. , Wecker T. , Bertram F. , Christen J. , Lindner J. K. N. , As D. J.
Published: February 2015

We report the influence of {111} stacking faults on the cathodoluminescence (CL) emission characteristics of cubic GaN (c‐GaN) films and cubic GaN/AlN multi‐quantum wells. Transmission electron microscopy (TEM) measurements indicate that stacking faults (SFs) on the {111} planes are the predominant crystallographic defects in epitaxial films, which were grown on 3C‐SiC/Si (001) substrates by plasma‐assisted molecular beam epitaxy. The correlation of the SFs and the luminescence output is evidenced with a CL setup integrated in a scanning TEM (STEM). By comparing the STEM images and the simultaneously measured CL signals it is demonstrated that SFs in these films lead to a reduced CL emission intensity. Furthermore, the CL emission intensity is shown to increase with increasing film thickness and decreasing SF density. This correlation can be connected to the reduction of the full width at half maximum of X‐ray diffraction rocking curves with increasing film thickness of c‐GaN films. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Modeling absorption and fluorescence solvatochromism with QM/Classical approaches
Authors: Mennucci Benedetta
Published: February 2015

The applications of solvatochromism have enormously increased in the last years especially when combined with the use of fluorescence‐based techniques. By conjugating solvatochromic fluorescent probes to biologically relevant systems, the functions, activities, and interactions of such species in the context of living systems can be studied with spatial and temporal resolution. It is therefore of large interest to have theoretical methods and computational tools able to predict the sensitivity in both absorption and fluorescence properties of molecular probes to the environment. Here, we present the current status of the multiscale strategy based on the combination of quantum chemistry with classical models. Potentials and limitations of the approach are discussed and an outlook on future developments is given with emphasis on the role that solvation dynamics can play. © 2015 Wiley Periodicals, Inc.
Robust consensus tracking for a class of high‐order multi‐agent systems
Authors: Sun Chao , Hu Guoqiang , Xie Lihua
Published: February 2015

In this paper, we study the robust consensus tracking problem for a class of high‐order multi‐agent systems with unmodelled dynamics and unknown disturbances. A continuous robust state feedback control algorithm is proposed to enable the agents to achieve robust consensus tracking of a desired trajectory. By utilizing Lyapunov analysis methods and an invariance‐like theorem, sufficient conditions for semi‐global asymptotic consensus tracking are established. A robust output feedback control algorithm is designed to obtain a uniformly ultimately bounded consensus tracking result. Numerical simulations are provided to show the effectiveness of the proposed algorithms. Copyright © 2015 John Wiley & Sons, Ltd.
R Markdown
Authors: Baumer Benjamin , Udwin Dana
Published: February 2015

Reproducibility is increasingly important to statistical research, but many details are often omitted from the published version of complex statistical analyses. A reader's comprehension is limited to what the author concludes, without exposure to the computational process. Often, the industrious reader cannot expand upon or validate the author's results. Even the author may struggle to reproduce their own results upon revisiting them. R Markdown is an authoring syntax that combines the ease of Markdown with the statistical programming language R. An R Markdown document or presentation interweaves computation, output and written analysis to the effect of transparency, clarity and an inherent invitation to reproduce (especially as sharing data is now as easy as the click of a button). It is an open‐source tool that can be used either on its own or through the RStudio integrated development environment (IDE). In addition to facilitating reproducible research, R Markdown is a boon to collaboratively minded data analysts, whose workflow can be streamlined by sharing only one master document that contains both code and content. Statistics educators may also find that R Markdown is helpful as a homework template, for both ease‐of‐use and in discouraging students from copy‐and‐pasting results from classmates. Training students in R Markdown will introduce to the workforce a new class of data analysts with an ingrained, foundational inclination toward reproducible research. WIREs Comput Stat 2015, 7:167–177. doi: 10.1002/wics.1348

This article is categorized under:

Software for Computational Statistics > Software/Statistical Software
Using occupancy models to accommodate uncertainty in the interpretation of aerial photograph data: Status of beaver in Central Oregon, USA
Authors: Pearl Christopher A. , Adams Michael J. , Haggerty Patricia K. , Urban Leslie
Published: February 2015

Beavers (Castor canadensis) influence habitat for many species and pose challenges in developed landscapes. They are increasingly viewed as a cost‐efficient means of riparian habitat restoration and water storage. Still, information on their status is rare, particularly in western North America. We used aerial photography to evaluate changes in beaver occupancy between 1942–1968 and 2009 in upper portions of 2 large watersheds in Oregon, USA. We used multiple observers and occupancy modeling to account for bias related to photo quality, observers, and imperfect detection of beaver impoundments. Our analysis suggested a slightly higher rate of beaver occupancy in the upper Deschutes than the upper Klamath basin. We found weak evidence for beaver increases in the west and declines in eastern parts of the study area. Our study presents a method for dealing with observer variation in photo interpretation and provides the first assessment of the extent of beaver influence in 2 basins with major water‐use challenges. Published 2015. This article is a U.S. Government work and is in the public domain in the USA.
EPA guidance on the early detection of clinical high risk states of psychoses
Authors: Schultze-Lutter F. , Michel C. , Schmidt S.J. , Schimmelmann B.G. , Maric N.P. , Salokangas R.K.R. , Riecher-Rössler A. , van der Gaag M. , Nordentoft M. , Raballo A. , Meneghelli A. , Marshall M. , Morrison A. , Ruhrmann S. , Klosterkötter J.
Published: February 2015

The aim of this guidance paper of the European Psychiatric Association is to provide evidence-based recommendations on the early detection of a clinical high risk (CHR) for psychosis in patients with mental problems. To this aim, we conducted a meta-analysis of studies reporting on conversion rates to psychosis in non-overlapping samples meeting any at least any one of the main CHR criteria: ultra-high risk (UHR) and/or basic symptoms criteria. Further, effects of potential moderators (different UHR criteria definitions, single UHR criteria and age) on conversion rates were examined. Conversion rates in the identified 42 samples with altogether more than 4000 CHR patients who had mainly been identified by UHR criteria and/or the basic symptom criterion ‘cognitive disturbances’ (COGDIS) showed considerable heterogeneity. While UHR criteria and COGDIS were related to similar conversion rates until 2-year follow-up, conversion rates of COGDIS were significantly higher thereafter. Differences in onset and frequency requirements of symptomatic UHR criteria or in their different consideration of functional decline, substance use and co-morbidity did not seem to impact on conversion rates. The ‘genetic risk and functional decline’ UHR criterion was rarely met and only showed an insignificant pooled sample effect. However, age significantly affected UHR conversion rates with lower rates in children and adolescents. Although more research into potential sources of heterogeneity in conversion rates is needed to facilitate improvement of CHR criteria, six evidence-based recommendations for an early detection of psychosis were developed as a basis for the EPA guidance on early intervention in CHR states.