bluuebunny/crossref_metadata_2025 huggingface dataset:
A comparison of bow shock models with Cluster observations during low Alfvén Mach number magnetic clouds
Authors: Turc L. , Fontaine D. , Savoini P. , Hietala H. , Kilpua E. K. J.
Published: June 2013

Abstract. Magnetic clouds (MCs) are very geoeffective solar wind structures. Their properties in the interplanetary medium have been extensively studied, yet little is known about their characteristics in the Earth's magnetosheath. The Cluster spacecraft offer the opportunity to observe MCs in the magnetosheath, but before MCs reach the magnetosphere, their structure is altered when they interact with the terrestrial bow shock (BS). The physics taking place at the BS strongly depends on ΘBn, the angle between the shock normal and the interplanetary magnetic field. However, in situ observations of the BS during an MC's crossing are seldom available. In order to relate magnetosheath observations to solar wind conditions, we need to rely on a model to determine the shock's position and normal direction. Yet during MCs, the models tend to be less accurate, because the Alfvén Mach number (MA) is often significantly lower than in regular solar wind. On the contrary, the models are generally optimised for high MA conditions. In this study, we compare the predictions of four widely used models available in the literature (Wu et al., 2000; Chapman and Cairns, 2003; Jeřáb et al., 2005; Měrka et al., 2005b) to Cluster's dayside BS crossings observed during five MC events. Our analysis shows that the ΘBn angle is well predicted by all four models. On the other hand, the Jeřáb et al. (2005) model yields the best estimates of the BS position during low MA MCs. The other models locate the BS either too far from or too close to Earth. The results of this paper can be directly used to estimate the BS parameters in all studies of MC interaction with Earth's magnetosphere.
Southern Hemisphere imprint for Indo–Asian summer monsoons during the last glacial period as revealed by Arabian Sea productivity records
Authors: Caley T. , Zaragosi S. , Bourget J. , Martinez P. , Malaizé B. , Eynaud F. , Rossignol L. , Garlan T. , Ellouz-Zimmermann N.
Published: June 2013

Abstract. The monsoon is one of the most important climatic phenomena: it promotes inter-hemispheric exchange of energy and affects the economical prosperity of several countries exposed to its seasonal seesaw. Previous studies in both the Indian and Asian monsoon systems have suggested a dominant north hemispheric (NH) control on summer monsoon dynamics at the scale of suborbital-millennial climatic changes, while the forcing/response of Indian and Asian monsoons at the orbital scale remains a matter of debate. Here nine marine sediment cores distributed across the whole Arabian Sea are used to build a regional surface marine productivity signal. The productivity signal is driven by the intensity of Indian summer monsoon winds. Results demonstrate the existence of an imprint of suborbital Southern Hemisphere (SH) temperature changes (i.e., Antarctica) on the Indian summer monsoon during the last glacial period, challenging the traditional and exclusive NH forcing hypothesis. Meanwhile, during the last deglaciation, the NH plays a more significant role. The δ18O signal recorded in the Asian monsoon speleothem records could be exported by winds from the Indian summer monsoon region, as recently proposed in modelling exercise, explaining the SH signature observed in Asian cave speleothems. Contrary to the view of a passive response of Indian and Asian monsoons to NH anomalies, the present results strongly suggest that the Indo–Asian summer monsoon plays an active role in amplifying millennial inter-hemispheric asymmetric patterns. Additionally, this study helps to decipher the observed differences between Indian and Asian-speleothem monsoonal records at the orbital-precession scale.
Assessing gridded observations for daily precipitation extremes in the Alps with a focus on northwest Italy
Authors: Turco M. , Zollo A. L. , Ronchi C. , De Luigi C. , Mercogliano P.
Published: June 2013

Abstract. In this study we compare three gridded observed datasets of daily precipitation (EOBS, MAP and NWIOI) over the Great Alpine Region (GAR) and a subregion in northwest Italy (NWI) in order to better understand the past variability of daily climate extremes and to set up a basis for developing regional climate scenarios. The grids are first compared with respect to their temporal similarity by calculating the correlation and relative mean absolute error of the time series. They are then compared with respect to their spatial similarity to the climatology of the ETCCDI indices (characterizing total precipitation, dry and wet spells and extremes with short return periods). The results indicate first that most EOBS gridpoint series in northeastern Italy have to be shifted back by 1 day to have maximum overlap of the measurement period and, second, that both the temporal and spatial similarities of most indices are higher between the NWIOI and MAP than between MAP or the NWIOI and EOBS. These results suggest that, although there is generally good temporal agreement between the three datasets, EOBS should be treated with caution, especially for extreme indices over the GAR region, and it does not provide reliable climatology over the NWI region. The high agreement between MAP and NWIOI, on the other hand, builds confidence in using these datasets. Users should consider carefully the limitations of the gridded observations available: the uncertainties of the observed datasets cannot be neglected in the overall uncertainties cascade that characterizes climate change studies.
An Ethnographic Case Study of Music Learning at a School for the Blind
Authors: Abramo Joseph Michael , Pierce Amy Elizabeth
Published: June 2013

This ethnographic case study investigated the teaching and learning of music at a residential school for the blind in the southwest United States. Data collection included student and teacher interviews, and observation of classes and used a social constructivist framework of disability. Students reported that they received inadequate modifications in music instruction when they attended public school. At the school for the blind, students used a variety of resources, including modified standard notation and literary Braille, but not Braille music. These findings suggest students with visual impairments have unique and effective ways of communicating and learning music that differ from sighted students, but these abilities were not acknowledged in public school and they perceived this inequality. Finally, it is suggested that obtaining the perspectives of students who receive disability-specific education provides another facet to the research on perspectives on special education in music.
Second-Stage Music Teachers’ Perceptions of Career Development and Trajectory
Authors: Eros John
Published: June 2013

The purpose of this study was to investigate the career development of three music teachers who are in the second stage of their teaching careers. Using research on both the teacher career cycle and the second stage of teaching, the participants were identified as second-stage teachers. The study employed a qualitative methodology that used a descriptive case study design (Merriam, 1998). The primary research questions were (a) how do participants perceive their career development from the first into the second stage, and (b) how do they anticipate their career trajectory through and beyond the second stage? Findings indicated that the participants perceived a transition from a first to a second stage, had different degrees and areas of self-confidence, were uncertain about their futures in music education, and were concerned about experiencing withdrawal from teaching. This study has implications for professional development, induction, and the retention and attrition of music teachers. Suggestions for further research are also included.
Perceived Use of Teacher Questioning in Secondary Music Ensembles
Authors: Haston Warren
Published: June 2013

The purpose of this study was to examine the perceived use of teacher questioning in secondary music ensemble rehearsals. Participants responded to a questionnaire and reported their perceptions of the frequency of use of specific close-ended (SCE), general close-ended (GCE), open-ended (OPEN), and justification (JUST) questions. For SCE questions, the directors’ mean scores were higher than their respective students’ scores in six of nine cases. For GCE and OPEN questions, the directors’ mean scores were higher than their respective students’ mean scores were in eight of nine cases. For JUST questions, the directors’ mean scores were higher than their respective students’ scores in only three of nine cases. When considered collectively, directors reported greater perceived frequency of teacher questioning for SCE, GCE, and OPEN questions, but students reported greater perceived frequency of JUST questions. There was a significant relationship (p < .001) between type of ensemble and perceived use of teacher questioning. Choral participants reported the highest frequency of all four types of questions. There were no significant relationships between grade in school, years of playing, or gender, and perceived frequency of teacher questioning. Teachers should be trained to use questioning strategies, and implement them from close-ended to justification in order to best help students understand musical concepts.
Responsabilidad social y empresa sostenible.
Authors: Bajo Sanjuán Anna , González Álvarez Marta , Fernández Fernández José Luis
Published: June 2013

Las organizaciones empresariales, incluidas las de medios, cumplen un papel determinante en la sociedad, especialmente en el ámbito de la globalización donde se multiplican los efectos de manera exponencial en múltiples dimensiones no sólo económicas, sino también sociales y medioambientales. La actuación de toda empresa, independientemente de su tamaño, sector o mercado provoca una serie de impactos, positivos y negativos, de los que irremediablemente ha de responder ante una sociedad cada vez más exigente. Esta responsabilidad debe ser asumida desde una conciencia del ejercicio ético que, lo quiera o no, la empresa está obligada a llevar a cabo para legitimar su existencia. El artículo que aquí se presenta ha de ayudar al lector a conocer más a fondo qué es eso llamado Responsabilidad Social de la Empresa, a qué agentes de la sociedad afecta, cuáles son las motivaciones que empujan a las organizaciones a incorporarla a su gestión, de manera estratégica, así como los mecanismos e iniciativas de impulso que propician su implantación. Concluimos con una reflexión sobre el pobre balance que la incorporación de la RSE está teniendo en las empresas, en general, salvo una representativa minoría que parece haber entendido que, sobre todo en estos tiempos de crisis, no cabe otro camino para la subsistencia y el éxito en el largo plazo que la apuesta por la sostenibilidad.
La radio de Castilla y León en Internet: Análisis de sus desarrollos en el entorno multimedia
Authors: Sacristán Salgado Rosario , Ortiz Sobrino Miguel Ángel , Salgado Santamaría Carmen
Published: June 2013

La radio puede utilizar Internet como potente repetidor para hacer llegar sus mensajes a todos los lugares conectados del planeta, pero también para desarrollar un nuevo formato que integre todos los elementos multimedia propios del sistema. Este texto ofrece las principales conclusiones de una investigación que afecta a las emisoras que han aprovechado estas ventajas y sobre todo las que, por primera vez, comenzaron a emitir con formato web desde la Comunidad de Castilla y León. El análisis de las direcciones de radio localizadas en Internet ha permitido conocer cuáles de ellas ofrecían contenido radiofónico adaptado a la web y cuáles se utilizaban para facilitar datos corporativos; si atendían más a la información general o a los contenidos especializados y si, en definitiva, la oferta de radio de esta Comunidad en Internet ayudaba a su reconocimiento más allá de sus límites territoriales, creando al mismo tiempo nexos entre sus habitantes. El trabajo que aquí se presenta da respuesta a todas estas cuestiones, pero los resultados han dibujado una realidad demasiado supeditada y anclada en las estructuras de la radio tradicional; la misma que ha sacrificado la radio local y regional en beneficio de las programaciones nacionales. No obstante, cuando las web de radio no pertenecían a estas grandes estructuras, el esfuerzo por ofrecer en Internet productos interesantes y atractivos era evidente.
Les questions de gouvernance dans les entreprises socialement responsables
Authors: Khanchel El Mehdi Imen
Published: June 2013

Cet article se propose d’étudier si les caractéristiques de gouvernance des entreprises socialement responsables diffèrent de celles des autres entreprises. A partir d’un échantillon d’entreprises socialement responsables (classées dans Business Ethics magasine) et d’un échantillon témoin pour la période 2006-2009, nous avons cherché à savoir si la responsabilité sociale était un levier déterminant qui contribuerait à l’amélioration de la qualité de gouvernance. Sur les échantillons concernés, la démonstration n’a pu être faite d’un lien entre la responsabilité sociale et la gouvernance.
L’influence des coûts irrécupérables sur l’élaboration d’une norme ISO : Le cas de l’élaboration de la norme ISO 26000 sur la Responsabilité Sociétale
Authors: Helfrich Vincent
Published: June 2013

L’objectif de cet article est de montrer l’existence de coûts irrécupérables au sein des processus d’élaboration des normes ISO, ainsi que de mettre en avant l’influence de ces derniers dans l’orientation (rédaction) et l’aboutissement (vote) de ces processus. Notre terrain d’étude a été l’élaboration de la norme ISO 26000, dont la construction a nécessité dix ans de travail. Cet article apporte un éclairage original sur la normalisation, qui influence de plus en plus les pratiques de management, car il insiste sur un concept développé en économie expérimentale et tente de faire le lien avec d’autres notions de coûts développées en gestion.
Décisions stratégiques dans la rivalité entre standards de qualité : le cas de la certification forestière
Authors: Mione Anne , Leroy Maya
Published: June 2013

Cette contribution examine les relations concurrentielles entre organisations de standardisation. Elle présente le cas de la gestion durable des forêts. Une certification volontaire est mise en place pour protéger les forêts menacées au niveau mondial, mais le recours aux normes volontaires, en lieu et place de la règlementation, produit des effets inattendus. En particulier, les organisations de standardisation doivent gérer l’émergence de standards rivaux et se trouvent engagées dans des relations concurrentielles complexes. Puisant dans les apports des spécialistes du travail institutionnel et des interactions concurrentielles, nous montrons comment cette bataille se joue sur le terrain de la recherche de légitimité et par des actions concurrentielles qu’elles ont du mal à assumer.
New U.S. energy secretary Moniz calls climate change a high priority
Authors: Showstack Randy
Published: June 2013

Climate change is “an extraordinarily high priority,” Ernest Moniz, the new secretary of the U.S. Department of Energy (DOE), said during a 22 May town hall meeting 1 day after being sworn into office.
Excellent therapeutic results achieved in chronic myeloid leukemia patients with front‐line imatinib and early treatment modifications in suboptimal responders: A retrospective study on 91 unselected patients
Authors: Cerrano Marco , Crisà Elena , Pregno Patrizia , Aguzzi Chiara , Riccomagno Paola , Boccadoro Mario , Ferrero Dario
Published: June 2013

Second generation tyrosine kinase‐inhibitors (TKI) have been claimed to represent now the first‐choice therapy for chronic myeloid leukemia (CML). Indeed, they generally induce faster and deeper molecular responses compared to imatinib that, however, is equally effective in at least 50% of patients. Moreover, some recent reports have questioned the long term safety of dasatinib and nilotinib. Therefore, upfront imatinib with early shift to second generation TKI for patients with slow/incomplete response might be as effective as front‐line second generation TKI, with a possibly better safety profile. We retrospectively evaluated 91 chronic phase CML patients (median follow‐up 57 months, median age 61 years), treated front‐line with standard‐dose imatinib and early therapy modifications (at 3–12 months) in case of unsatisfactory response or intolerance. Thirty‐three patients (24 with unsatisfactory response, 9 intolerant) changed therapy, either by increasing imatinib dose (11/91) or by switching to second generation TKI (22 directly, 4 after high‐dose imatinib). Globally, our strategy led to complete cytogenetic response (CCyR) in 98% of the patients, major molecular response (MMR) in 88% and molecular response 4 logs (MR4.0) in 62%. Three patients in CCyR (3%), 2 of them in MMR too, suddenly progressed to blastic phase. At the last follow‐up nine patients had died, seven of CML‐unrelated causes and two only of CML progression. These results suggest that our strategy could be as effective as front line second generation TKI, with most of patients still receiving imatinib, a drug of better known long‐term side effects and lower cost. Am. J. Hematol. 88:838–842, 2013. © 2013 Wiley Periodicals, Inc.
Current survival measures reliably reflect modern sequential treatment in CML: Correlation with prognostic stratifications
Authors: Pavlik Tomas , Janousova Eva , Mayer Jiri , Indrak Karel , Jarosova Marie , Klamova Hana , Zackova Daniela , Voglova Jaroslava , Faber Edgar , Karas Michal , Machova Polakova Katerina , Racil Zdenek , Demeckova Eva , Demitrovicova Ludmila , Tothova Elena , Chudej Juraj , Markuljak Imrich , Cmunt Eduard , Kozak Tomas , Muzik Jan , Dusek Ladislav
Published: June 2013

Using the data of 723 chronic myeloid leukemia (CML) patients in the chronic phase, we analyzed the prognostic value of the Sokal, Euro, and EUTOS scores as well as the level of BCR‐ABL1 and the achievement of complete cytogenetic response (CCgR) at 3 months of imatinib therapy in relation to the so‐called current survival measures: the current cumulative incidence (CCI) reflecting the probability of being alive and in CCgR after starting imatinib therapy; the current leukemia‐free survival (CLFS) reflecting the probability of being alive and in CCgR after achieving the first CCgR; and the overall survival. The greatest difference between the CCI curves at 5 years after initiating imatinib therapy was observed for the BCR‐ABL1 transcripts at 3 months. The 5‐year CCI was 94.3% in patients with BCR‐ABL1 transcripts ≤ 10% and 57.1% in patients with BCR‐ABL1 transcripts > 10% (P = 0.005). Therefore, the examination of BCR‐ABL1 transcripts at 3 months may help in early identification of patients who are likely to perform poorly with imatinib. On the other hand, CLFS was not significantly affected by the considered stratifications. In conclusion, our results indicate that once the CCgR is achieved, the prognosis is good irrespective of the starting prognostic risks. Am. J. Hematol. 88:790–797, 2013. © 2013 Wiley Periodicals, Inc.
Impact of aberrant DNA methylation patterns including CYP1B1 methylation in adolescents and young adults with acute lymphocytic leukemia
Authors: DiNardo C.D. , Gharibyan V. , Yang H. , Wei Y. , Pierce S. , Kantarjian H.M. , Garcia‐Manero G. , Rytting M.
Published: June 2013

Aberrant promoter DNA methylation is a well‐described mechanism of leukemogenesis within hematologic malignancies, including acute lymphoblastic leukemia (ALL). However, the importance of methylation patterns among the adolescent and young adult (AYA) ALL population has not been well established. DNA methylation of 18 candidate genes in 33 AYA ALL patients was analyzed at diagnosis and during treatment, to evaluate the frequency and clinical relevance of aberrant methylation in an AYA population treated on a uniform therapeutic regimen. Of 16 informative genes, there was a median of 6 methylated genes per AYA ALL patient. Correlations were identified between increasing number of methylated genes with male sex (P = 0.04), increased white blood cell (WBC) count (P = 0.04) and increased bone‐marrow blast percentage (P = 0.04). Increasing age was associated with EPHA5 methylation (P = 0.05). Overall, patients experienced favorable outcomes with median survival that was not reached. On univariate analysis, methylation of CYP1B1 was associated with worse overall survival (HR 10.7, 95% CI 1.3–87.6, P = 0.03), disease‐free survival (HR 3.7, 95% CI 1.1–9.2, P = 0.04) and correlated with decreased CYP1B1 gene expression. A significant incidence of methylation within the AYA ALL population was identified, with increased methylation associated with distinct clinicopathologic features including male gender and elevated WBC count. Our results suggest aberrant methylation among AYA patients is frequent, and may provide a common pathogenic mechanism. The inferior outcome identified with methylation of the cytochrome p450 gene CYP1B1, an enzyme involved in drug metabolism and steroid synthesis, warrants further investigation. Am. J. Hematol. 88:784–789, 2013. © 2013 Wiley Periodicals, Inc.
Total Synthesis of Both Spiroketal Diastereomers of the Reported Structure of Cephalosporolide H
Authors: Fernandes Rodney A. , Halle Mahesh B.
Published: June 2013

A total synthesis of both spiroketal diastereomers of the reported structure of cephalosporolide H is accomplished in 12 steps and 9 % overall yield. The key steps involve Keck’s allylation, cross metathesis (to get the desired β,γ‐unsaturated ester), Sharpless asymmetric dihydroxylation (to install the β‐hydroxy‐γ‐lactone moiety), and spiroketalization to access both spiroketal diastereomers of the reported structure of the natural product.
A Concise Method for Synthesizing 1,4,8,11‐Tetraaza‐6,13‐dioxapentacene Derivatives
Authors: Li Gang , Long Guankui , Chen Wangqiao , Hu Fangzhong , Chen Yongsheng , Zhang Qichun
Published: June 2013

A concise method for preparing five tetraazadioxaacene derivatives through condensation reactions between 2,3,7,8‐tetraaminodibenzo‐1,4‐dioxin tetrahydrochloride and commercially available diketones has been developed. The as‐prepared compounds have interesting photophysical and electrochemical properties. Cyclic voltammetry measurements demonstrate that compounds 4 and 5 have less negative reduction potentials, which is inconsistent with the results of DFT calculations, and both might be promising for use as active elements in organic electronics.
Masculinization of the eruption pattern of permanent mandibular canines in opposite sex twin girls
Authors: Heikkinen Tuomo , Harila Virpi , Tapanainen Juha S. , Alvesalo Lassi
Published: June 2013

The aim of this study is to explore the effect of prenatal androgenization on the clinical eruption of permanent teeth expressing dimorphism and bimaturism. The eruption curves of permanent teeth (except third molars), including those that make up the canine complex (permanent canines, lower first premolars), are compared among opposite sex twins (OS twins) relative to single‐born boys and girls. The comparisons are made with regard to three phases of eruption (pierced mucosa, half‐ erupted, and completely erupted) from a cross‐sectional sample of dental casts, using Kaplan–Meier survival and Cox regression analyzes. The casts were collected from 2159 school children from the US Collaborative Perinatal Project, including 39 pairs of OS‐twins, of which 12 pairs (30.8%) were Euro‐Americans and 27 pairs (69.2%) were of African‐American ancestry. The eruption patterns of the incisors, upper first molars, and lower canines were found to be significantly masculinized (delayed) among OS twin girls. The differences in most other teeth were either not significant, or the number of observations of active eruption phases were too few, such as in the upper first molars and incisors, to yield strong evidence and meaningful results. The masculinization of the tooth eruption pattern in OS twin girls is intriguing because of the lower canine responses during puberty, as well as canine primordial formation during early fetal androgenization of their co‐twin during the 8th to 14th gestational weeks. The present results offer a challenge for future research exploring tooth eruption mechanisms, and may also highlight some cases of delayed or ectopic canines, which are biased toward females. Am J Phys Anthropol 151:566–572, 2013. © 2013 Wiley Periodicals, Inc.
Music, Memory, and Relatedness
Authors: Blum Lawrence D.
Published: June 2013

This article examines the role of music and musical speech as transitional phenomena, as facilitators of early dyadic and later relationships, as aids to the development of memory, and as assisting in the self‐definition of individuals and groups. It draws on literature from psychoanalysis, developmental psychology, and neuroscience, and presents illustrations from individual development as well as cultural phenomena. Copyright © 2013 John Wiley & Sons, Ltd.
Microstructural Analysis and Energy‐Filtered TEM Imaging to Investigate the Structure–Activity Relationship in Fischer–Tropsch Catalysts
Authors: Florea Ileana , Liu Yuefeng , Ersen Ovidiu , Meny Christian , Pham‐Huu Cuong
Published: June 2013

We present herein the application of chemical imaging based on energy‐filtered TEM in 2 D and 3 D modes to determine the distribution of phases in Co/TiO2–SiC catalysts used in Fischer–Tropsch synthesis. In combination with more traditional techniques such as high‐resolution TEM imaging, it allowed us to precisely characterize the microstructure and the relative distribution of the three compounds, Co, Si, and Ti, before and after the catalytic reaction. We show that the TiO2 doping was almost homogenous within the bimodal porous structure of β‐SiC. The characteristics of the cobalt nanoparticles depended on the phase they are in contact with: small nanoparticles are found on TiO2 and larger nanoparticles close to SiC. Enhancement of the catalytic performance and higher stability were observed for the Co/TiO2–SiC catalyst relative to Co/SiC, which was attributed to the better dispersion of cobalt on TiO2‐doped SiC support and to the relatively strong Co–TiO2 interaction. From a general point of view, this work illustrates that the advanced TEM‐based techniques are unavoidable for the characterization and the optimization of heterogeneous catalysts.
Kinetics of Melt Crystallization of a Sunflower Oil‐Based Polyunsaturated Fatty Acid Mixture
Authors: Dasgupta S. , Ay P. , Kommolk R. , Xu S.
Published: June 2013

Important parameters like supercooling and cooling rates affecting the melt crystallization of a polyunsaturated fatty acid (PUFA) mixture obtained from sunflower oil were investigated and compared via high‐resolution polarized‐light microscopy. PUFA was thermally characterized in a differential scanning calorimeter and the significant liquid‐solid‐phase transition temperatures determined were then implemented in the development of specific temperature profiles. Analyzed between two glass slides, induction times were found to decrease with low crystallization temperatures and the number of nuclei per unit area increased with higher supercooling and cooling rates. A comparison between the linear crystal growth rates of pure standards of each of the main fatty acids present in the PUFA mixture and the PUFA mixture itself indicated that the latter is much slower than that of each of its pure components.
Revamping Dimethyl Ether Separation to a Single‐Step Process
Authors: Kiss A. A. , Ignat R. M.
Published: June 2013

Process intensification techniques were recently proposed to improve the eco‐efficiency of the conventional dimethyl ether (DME) purification and methanol recovery distillation sequence, but they all require new specific equipment and hence rather high investment costs leading to several years of payback time. However, the alternative of reusing the existing equipment to revamp the two distillation columns of the downstream processing section into a single‐step separation was so far overlooked in the open literature. To solve the problem of costly DME separation, a novel single‐step DME separation taking place in a dividing‐wall column (DWC) is proposed that effectively integrates in one shell the tasks of DME purification and methanol recovery. The new process is optimized in terms of minimal energy requirements, taking into account the restrictions caused by reusing one distillation column like, such as limited diameter or reboiler/condenser heat duty. The results demonstrate that the DWC alternative is feasible and has better performances as compared to the classic sequence, i.e., 28 % lower operating costs and 20 % less capital investment.
Class III Delocalization and Exciton Coupling in a Bimetallic Bis‐ligand Radical Complex
Authors: Dunn Tim J. , Chiang Linus , Ramogida Caterina F. , Hazin Khatera , Webb Michael I. , Katz Michael J. , Storr Tim
Published: June 2013

The geometric and electronic structure of an oxidized bimetallic Ni complex incorporating two redox‐active Schiff‐base ligands connected via a 1,2‐phenylene linker has been investigated and compared to a monomeric analogue. Information from UV/Vis/NIR spectroscopy, electron paramagnetic resonance (EPR) spectroscopy, electrochemistry, and density functional theory (DFT) calculations provides important information on the locus of oxidation for the bimetallic complex. The neutral bimetallic complex is conformationally dynamic at room temperature, which complicates characterization of the oxidized forms. Comparison to an oxidized monomer analogue 1 provides critical insight into the electronic structure of the oxidized bimetallic complex 2. Oxidation of 1 provides [1.]+, which is characterized as a fully delocalized ligand radical complex; the spectroscopic signature of this derivative includes an intense NIR band at 4500 cm−1. Oxidation of 2 to the bis‐oxidized form affords a bis‐ligand radical species [2..]2+. Variable temperature EPR spectroscopy of [2..]2+ shows no evidence of coupling, and the triplet and broken symmetry solutions afforded by theoretical calculations are essentially isoenergetic. [2..]2+ is thus best described as incorporating two non‐interacting ligand radicals. Interestingly, the intense NIR intervalence charge transfer band observed for the delocalized ligand‐radical [1.]+ exhibits exciton splitting in [2..]2+, due to coupling of the monomer transition dipoles in the enforced oblique dimer geometry. Evaluating the splitting of the intense intervalence charge transfer band can thus provide significant geometric and electronic information in less rigid bis‐ligand radical systems. Addition of excess pyridine to [2..]2+ results in a shift in the oxidation locus from a bis‐ligand radical species to the NiIII/NiIII derivative [2(py)4]2+, demonstrating that the ligand system can incorporate significant bulk in the axial positions.
Higher Alcohol Synthesis: Product Analysis Using the Concept of Effective Carbon Numbers
Authors: Frank Benjamin , Xie Zai‐Lai , Trunschke Annette
Published: June 2013

A catalytic setup for Fischer‐Tropsch synthesis to alkanes and alcohols is described. Within this single‐channel reactor unit the reaction conditions can be varied in the ranges of 25 – 400 °C, 1 – 100 bar, and 300 – 120 000 h–1 gas hourly space velocity (GHSV). The broad product spectrum is efficiently analyzed by GC/MS. The concept of effective carbon numbers, as typically applied in refining and high‐molecular chemistry, is suitable for the product spectrum comprising mainly alkanes, alkenes, alcohols, aldehydes, and carboxylic acids. This article provides details about the setup and general measurement procedures.
A New Method for Detection of Pre‐Earthquake Ionospheric Anomalies
Authors: Xiao‐Hong ZHANG , Xiao‐Dong REN , Feng‐Bo WU , Yu‐Yang CHEN
Published: June 2013

This paper proposed a new method for detection of pre‐earthquake ionospheric anomalies using time series analysis based on the Autoregressive Integrated Moving Average (ARIMA) model. Firstly, we compared the precision of this new method with the traditional ones, namely the Inter Quartile Range (IQR) method and the sliding window method, in predicting the TEC reference background values. The results show that the precision of the former is obviously better than the latter, while the average prediction residual errors of the former are twice smaller than the latter. To detect pre‐earthquake ionospheric anomalies more accurately, besides precise reference background values, its reasonable error range is also needed. Therefore, this paper put forward a new method to calculate the reference background value's upper and lower bounds. Finally, the earthquake happened in Sumatra on January 10, 2012 was taken as example. We analyzed its pre‐earthquake ionospheric anomalies and proved the effectiveness of the new method. The results show that obvious ionospheric anomalies appeared on the 13th, 8th to 9th and 1st to 2nd days before the earthquake as well as several hours during the day when the earthquake happened. Furthermore, positive anomalies (observational values higher than normal ones) generally appeared to the north of the epicenter and were much earlier before the earthquake occurrence, while the negative ones (observation values lower than the normal) occurred in any direction to the epicenter, and close to the moment the earthquake occurrence. Through statistics for the frequency of ionospheric anomalies occurred at different times of the day, we have also found a valuable law that the closer the time of the day before the earthquake moment, the higher the occurrence frequency of the ionospheric anomalies, which is likely to be an important reference to the more accurate earthquake prediction in the future.
Joint Inversion of HDIL and SP with a Five‐Parameter Model for Estimation of Connate Water Resistivity
Authors: Hu LI , Yi‐Ren FAN , Yun‐Yun HU , Shao‐Gui DENG , Qing‐Tao SUN
Published: June 2013

Initial water saturation is an important reservoir parameter which is also the basis for reservoir fine evaluation. On the basis of numerical simulation of mud filtrate invasion and analysis of petrophysical characteristics around a borehole during drilling, the generation position of spontaneous potential is determined. In view of different invasion characteristics, a five‐parameter model is proposed, which is applicable to different invasion characteristics including reservoir resistivity distribution with “low resistivity annulus”. Furthermore, on the basis of geometrical factor theory and finite element method, a combined inversion algorithm of array induction logging and spontaneous potential is established, and formation resistivity parameters are inversed. In addition, a reservoir resistivity profile is reconstructed; thereby formation water resistivity is calculated accurately. The inversion results of field data show that the inversion algorithm is stable and reliable, and the joint inversion of array induction logging and spontaneous potential can well represent the resistivity distribution, reconstruct resistivity profiles and determine the generation position of spontaneous potential. The combined inversion algorithm based on array induction logging and spontaneous potential can accurately calculate the connate water resistivity and provides evidence for reservoir evaluation and fluid property identification.
Discordant Association of C‐Reactive Protein With Clinical Events and Coronary Luminal Narrowing in Postmenopausal Women: Data From the Women's Angiographic Vitamin and Estrogen (WAVE) Study
Authors: Patel Dhavalkumar , Jhamnani Sunny , Ahmad Soha , Silverman Angela , Lindsay Joseph
Published: June 2013

Background

The incidence of cardiovascular events had been shown to be associated with C‐reactive protein (CRP). However, it is unclear that the cardiovascular risk associated with CRP is due to progressive coronary narrowing or to other factors such as formation of unstable plaque. This study was designed to determine the effect of baseline CRP on cardiovascular events and on the progression of atherosclerotic narrowing among 423 postmenopausal women with angiographic stenosis between 15% and 75%.

Hypothesis

Baseline CRP levels may affect cardiovascular events and progression of atherosclerotic coronary artery narrowing among postmenopausal women.

Methods

Baseline and follow‐up (2.8 years) angiographic data were analyzed among 320 women. Women were stratified into 4 quartiles according to baseline CRP levels. The changes in lumen diameter and clinical events in each quartile were compared.

Results

The annualized changes in minimal and average lumen diameter in diseased and nondiseased coronary segments were not significantly associated with baseline CRP levels. The composite end point of all‐cause mortality and myocardial infarction (MI) increased from 3% (3/107) in the first CRP quartile to 14% (14/98) in fourth CRP quartile (P < 0.001). Similar results were found for cardiovascular death and MI (increased from 1% (2/107) in the first quartile to 11% (11/98) in fourth quartile). The difference remained significant even after adjustment for baseline differences and cardiovascular risk factors.

Conclusions

Higher baseline CRP was associated with increased risk of clinical events but was not associated with annualized change in luminal diameters. Thus, increased risk of adverse events among patients with higher baseline CRP events was independent of progression of atherosclerosis as measured by change in minimal or average luminal diameter.
The Prognostic Significance of Narrow Fragmented QRS on Admission Electrocardiogram in Patients Hospitalized for Decompensated Systolic Heart Failure
Authors: Ozcan Sevgi , Cakmak Huseyin Altug , Ikitimur Baris , Yurtseven Ece , Stavileci Berna , Tufekcioglu Ebru Yucel , Enar Rasim
Published: June 2013

Background

Narrow fragmented QRS (fQRS) has recently been recognized as a significant predictor of prognosis in various cardiovascular diseases.

Hypothesis

We hypothesized that the presence of narrow fQRS on admission electrocardiogram (ECG) in patients with decompensated systolic heart failure (HF) of any cause would be associated with long‐term prognosis.

Methods

Patients hospitalized for decompensated HF due to ischemic or nonischemic dilated cardiomyopathy (left ventricular ejection fraction <35%) were retrospectively analyzed. The primary clinical end points were cardiovascular mortality, sudden cardiac death, and rehospitalization for HF.

Results

The mean duration of follow‐up was 3.73 ± 1.41 years. Patients were classified as fQRS(+) group (n = 114; mean age, 63.49 ± 12.04 years) and fQRS(−) group (n = 113 patients; mean age, 65.04 ± 11.95 years). fQRS on ECG was significantly correlated with New York Heart Association (NYHA) functional class (P = 0.001). In multivariate Cox proportional hazard analysis, narrow fQRS (odds ratio [OR]: 3.130, 95% confidence interval [CI]: 1.560‐2.848, P = 0.001), chronic renal failure (OR: 2.455, 95% CI: 1.120‐5.381, P = 0.025), NYHA class (OR: 8.305, 95% CI: 2.568‐26.855, P < 0.0001), and hypoalbuminemia (OR: 2.099, 95% CI: 1.122‐3.926, P = 0.020) were independent predictors of cardiovascular mortality. In Kaplan‐Meier survival analysis, narrow fQRS on admission ECG predicted worse survival rate at 84 months; survival probability significantly decreased in the fQRS(+) group compared with fQRS(−) group (P < 0.0001).

Conclusions

Presence of narrow fQRS is associated with worse NYHA functional class in patients hospitalized for decompensated HF. Narrow fQRS predicts cardiovascular mortality in a specific subgroup of systolic HF patients, namely those hospitalized for decompensated HF of both ischemic and nonischemic causes.
Alzheimer’s Disease: Identification and Development of β‐Secretase (BACE‐1) Binding Fragments and Inhibitors by Dynamic Ligation Screening (DLS)
Authors: Fernández‐Bachiller María Isabel , Horatscheck André , Lisurek Michael , Rademann Jörg
Published: June 2013

The application of dynamic ligation screening (DLS), a methodology for fragment‐based drug discovery (FBDD), to the aspartic protease β‐secretase (BACE‐1) is reported. For this purpose, three new fluorescence resonance energy transfer (FRET) substrates were designed and synthesized. Their kinetic parameters (Vmax, KM, and kcat) were determined and compared with a commercial substrate. Secondly, a peptide aldehyde was designed as a chemically reactive inhibitor (CRI) based on the Swedish mutation substrate sequence. Incubation of this CRI with the protease, a FRET substrate, and one amine per well taken from an amine library, which was assembled by a maximum common substructure (MCS) approach, revealed the fragment 3‐(3‐aminophenyl)‐2H‐chromen‐2‐one (1) to be a competitive BACE‐1 inhibitor that enhanced the activity of the CRI. Irreversibly formed fragment combination products of 1 with the initial peptide sequence were active and confirmed the targeting of the active site through the ethane‐1,2‐diamine isostere. Finally, structure‐assisted combination of fragment 1 with secondary fragments that target the S1 site in hit optimization yielded novel, entirely fragment‐based BACE‐1 inhibitors with up to 30‐fold improved binding affinity. Interactions with the protein were explained by molecular modeling studies, which indicate that the new fragment combinations interact with the catalytic aspartic acid dyad, as well as with the adjacent binding sites required for potency.
A Visible‐Light Driven Photoelectrochemical Aptasensor for Endocrine Disrupting Chemicals Bisphenol A with High Sensitivity and Specificity
Authors: Zhang Yingying , Cao Tongcheng , Huang Xiaofeng , Liu Meichuan , Shi Huijie , Zhao Guohua
Published: June 2013

A visible‐light driven photoelectrochemical (PEC) sensor based on aptamer immobilized TiO2‐Fe2O3 nanotubes was proposed for the first time and highly sensitive and selective bisphenol A determination was realized. Taking advantage of the alloy oxide nanotube structure, high surface area, good biocompatibility, superior photoelectrocatalytic performance, a limit of detection toward BPA as low as 1.8×10−11 M with linearity in the range from 1.8×10−11 to 3.2×10−9 M could be achieved. Specificity was greatly exhibited for this aptasensor under 100‐fold excess concentration of estriol, resorcinol, nonylphenol, 2,4‐D, acetamiprid, chlorpyrifos and omethoate. Simultaneously, satisfactory results were obtained in real water sample investigation from industrial plastics and drinking water. A novel visible‐light driven PEC method for highly sensitive and selective detection of BPA was thus established.
Serotonin transporter polymorphism is associated with increased apnea–hypopnea index in older adults
Authors: Schröder Carmen M. , Primeau Michelle M. , Hallmayer Joachim F. , Lazzeroni Laura C. , Hubbard Jeffrey T. , O'Hara Ruth
Published: June 2013

Rationale

A functional polymorphism of the serotonin transporter gene (5‐HTTLPR) has previously been related to upper airway pathology, but its contribution to obstructive sleep apnea (OSA), a highly prevalent sleep disorder in older adults, remains unclear.

Objectives

We aimed to investigate the relationship between apnea–hypopnea index (AHI) and genetic variations in the promoter region of the 5‐HTTLPR in older adults.

Methods

DNA samples from 94 community‐dwelling older adults (57% female, mean age 72 ± 8) were genotyped for the 5‐HTTLPR polymorphism. All participants were assessed in their homes with full ambulatory polysomnography in order to determine AHI and related parameters such as hypoxia, sleep fragmentation, and self‐reported daytime sleepiness.

Results

The 5‐HTT l allele was significantly associated with AHI (p = 0.019), with l allele carriers displaying a higher AHI than s allele homozygotes. A single allele change in 5‐HTTLPR genotype from s to l resulted in an increase of AHI by 4.46 per hour of sleep (95% CI, 0.75–8.17). The l allele was also associated with increased time during sleep spent at oxygen saturation levels below 90% (p = 0.014).

Conclusions

The observed significant association between the 5‐HTTLPR l allele and severity of OSA in older adults suggests that the l allele may be important to consider when assessing for OSA in this age group. This association may also explain some of the observed variability among serotonergic pharmacological treatment studies for OSA, and 5‐HTT genotype status may have to be taken into account in future therapeutic trials involving serotonergic agents. Copyright © 2013 John Wiley & Sons, Ltd.
Opposite CMIP3/CMIP5 trends in the wintertime Northern Annular Mode explained by combined local sea ice and remote tropical influences
Authors: Cattiaux J. , Cassou C.
Published: June 2013

A crucial challenge in climate studies is to determine how warming trends due to anthropogenic forcing may affect the natural modes of atmospheric variability. In the northern extratropics, the leading pattern of atmospheric dynamics is known as the Northern Annular Mode (NAM), often computed as the first empirical orthogonal function of sea level pressure (SLP) or geopotential height at 500 mbar (Z500). Here we compare wintertime NAM changes estimated from previous (third phase of the Coupled Model Intercomparison Project (CMIP3)) versus ongoing (fifth phase (CMIP5)) generations of multimodel projections for the 21st century, under similar emission scenarios (A2 scenario versus 8.5 W.m−2Representative Concentration Pathway). CMIP3 projections exhibited a positive NAM trend, albeit this response differed between SLP and Z500, whereas CMIP5 projections rather reveal a negative trend, especially for Z500. We show that the CMIP3/CMIP5 discrepancies are mostly explained in early winter by the local consequence of faster Arctic sea ice loss in CMIP5 and in late winter by the remote influence through teleconnection of stronger warming in the western tropical Pacific. The attribution of CMIP3/CMIP5 discrepancies to the differences in emission scenarios is assessed by investigating NAM responses in common 1% CO2idealized experiments.
Quality of case reports of adverse drug reactions with psychotropic drugs: a 25‐year review
Authors: Talat Bilal , Mayers Andrew , Baldwin David S.
Published: June 2013

Case reports of adverse reactions with psychotropic drugs can be useful in raising hypotheses, to be tested with more rigorous study designs. However such reports have significant methodological drawbacks, making it hard to determine causality.

We undertook a systematic assessment of the quality of case reports and small case series published within Human Psychopharmacology over 25 years. For reports of adverse drug reactions, modified Bradford Hill criteria for causality (for consistency, strength, specificity, temporal relationship and plausibility) were used to ascertain the quality of the account. Reports which had been cited at least 10 times by December 2010 were examined in detail, to assess their overall contribution in extending understanding and influencing clinical practice.

Of 40 reports of adverse drug reactions, only seven were sufficiently robust for confidence in probable or possible causality. Nine reports had been cited more than 10 times: the five most frequently cited reports of adverse drug reactions described movement disorders, suicidal thoughts and discontinuation symptoms with SSRIs: clinical relevance was high, but their quality was not markedly greater than less frequently cited reports.

Nearly all reports of adverse drug reactions, published in a single journal over 25 years, were insufficiently robust to demonstrate probable causality. Reports that are cited frequently become influential because of their potential clinical relevance, rather than due to their methodological quality. Copyright © 2013 John Wiley & Sons, Ltd.