bluuebunny/crossref_metadata_2025_split huggingface dataset:
An Accurate and Interpretable Bayesian Classification Model for Prediction of hERG Liability
Authors: Sun Hongmao 
Published: January 2006

AbstractDrug‐induced QT interval prolongation has been identified as a critical side‐effect of non‐cardiovascular therapeutic agents and has resulted in the withdrawal of many drugs from the market. As almost all cases of drug‐induced QT prolongation can be traced to the blockade of a voltage‐dependent potassium ion channel encoded by the hERG (the human ether‐à‐go‐go‐related gene), early identification of potential hERG channel blockers will decrease the risk of cardiotoxicity‐induced attritions in the later and more expensive development stage. Presented herein is a naive Bayes classifier to categorize hERG blockers into active and inactive classes, by using a universal, generic molecular descriptor system.1 The naive Bayes classifier was built from a training set containing 1979 corporate compounds, and exhibited an ROC accuracy of 0.87. The model was validated on an external test set of 66 drugs, of which 58 were correctly classified. The cumulative probabilities reflected the confidence of prediction and were proven useful for the identification of hERG blockers. Relative performance was compared for two classifiers constructed from either an atom‐type‐based molecular descriptor or the long range functional class fingerprint descriptor FCFP_6. The combination of an atom‐typing descriptor and the naive Bayes classification technique enables the interpretation of the resulting model, which offers extra information for the design of compounds free of undesirable hERG activity.
Output leveling of wind power generation system by EDLC energy storage system
Authors: Kinjo Tatsuto , Senjyu Tomonobu , Uezato Katsumi , Fujita Hideki 
Published: January 2006

AbstractUtilization of renewable energy is becoming increasingly important from the viewpoints of environmental protection and conservation of fossil fuel. However, the generating power of renewable energy is always fluctuating due to the environmental status. Energy storage systems are indispensable in compensating these fluctuating components. An energy capacitor system (ECS) composed of an electric double‐layer capacitor (EDLC) with power‐electronics devices is useful for compensation of fluctuating power, since it is capable of controlling both active and reactive power simultaneously. This paper proposes a current‐source ECS (CS‐ECS), which consists of an EDLC, a bidirectional buck‐boost DC‐DC converter, and a bidirectional inverter. We present the control systems for active/reactive power control of CS‐ECS, and show the effectiveness of CS‐ECS through computer simulations for the case of a wind power generation system. © 2006 Wiley Periodicals, Inc. Electr Eng Jpn, 154(4): 34–41, 2006; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/eej.20181
Measurement and analysis of AC loss of NdFeB sintered magnet
Authors: Kanazawa Shinichi , Takahashi Norio , Kubo Takeharu 
Published: January 2006

AbstractNdFeB sintered magnets are widely used in rotating machines. As the conductivity of NdFeB sintered magnets is fairly high compared with that of ferrite magnets, the eddy current loss due to slot ripple, etc., cannot be neglected. If the eddy current loss of permanent magnets becomes large, the temperature of the permanent magnet becomes high and the thermal demagnetization becomes serious. Therefore, it is required to evaluate AC loss of the permanent magnet. But the measurement of AC loss of the permanent magnet under serious operating conditions has not yet been reported. In this paper, the AC loss of NdFeB sintered magnet was measured using a newly developed closed‐type measuring equipment. It is shown that the coaxial double coil is useful for accurate measurement of the magnetic field. The eddy current loss and hysteresis loss of the permanent magnet are obtained by the loss separation. It is illustrated that the hysteresis loss is larger than the eddy current loss in the range of less than several hundred hertz. The appropriateness of measurement is verified by the numerical analysis. © 2006 Wiley Periodicals, Inc. Electr Eng Jpn, 154(4): 8–15, 2006; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/eej.20213
Research on evaluation methods of generated energy and lowering factors of photovoltaic generation system
Authors: Iga Atsushi , Kaneko Tomoyuki , Ishihara Yoshiyuki 
Published: January 2006

AbstractDespite substantial progress of research efforts in the field of photovoltaic (PV) power generation, some serious problems remain to be solved, including a fairly low energy generated by PV systems in comparison to the expected output, and a broad spread of output values among individual PV systems. The expected level of generated energy is usually evaluated by means of such coefficients as “the performance ratio” which is obtained as the energy actually generated by a PV array over a period of 1 year divided by the calculated output over the same period. However, this method has some limitations, such as the necessity to continuously perform data measurements over a long time, difficulties in the examination of factors reducing the level of the generated energy or improving the system efficiency, and so on. In this study, the authors propose a new method of accurate evaluation of the generated energy. The authors also examined a method for classifying the losses caused by the rise of the PV cell temperature and presented a method of data measurements over a short time period. The proposed method can also be applied to the classification and analysis of losses occurring at the time of the MPPT operation of the system (Pmax operation). © 2006 Wiley Periodicals, Inc. Electr Eng Jpn, 154(4): 24–33, 2006; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/eej.20222
Study on voltage regulation methods for distribution systems with dispersed generators
Authors: Kondoh Junji , Aki Hirohisa , Yamaguchi Hiroshi , Murata Akinobu , Ishii Itaru 
Published: January 2006

AbstractConnection of a large number of the dispersed generators to distribution networks is not easy due to various technical considerations. Thus, we have been trying to devise a concept for future electrical distribution systems with many dispersed generators. In this work, it has been considered that each customer's load and each generator's active and reactive power should be controlled in order to stabilize and optimize the networks. Under this consideration, two control methods for future distribution systems are proposed, a cooperative control and an independent control. We have confirmed experimentally that the voltage regulation ability is higher with the cooperative control than with the independent control, especially in cases of an eccentric load profile in a feeder and a heavy load. © 2006 Wiley Periodicals, Inc. Electr Eng Jpn, 154(4): 16–23, 2006; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/eej.20246
Theoretical Studies on Metal–Metal Interaction and Intrinsic 1,3[σ*(d)σ(s/p)] Excited States of Dinuclear d10 Complexes with Bridging Phosphane Ligands
Authors: Pan Qing‐Jiang , Zhang Hong‐Xing , Fu Hong‐Gang , Yu Hai‐Tao 
Published: January 2006

AbstractTo explore the metal–metal interaction and spectroscopic properties, the ground‐ and excited‐state structures of [M2(dpm)2]2+ [M = Ag (2), Cu (3), dpm = bis(diphosphanyl)methane] and their solvated species [M2(dpm)2]2+·(MeCN)2 were optimized by the MP2 and CIS methods, respectively. In the ground states, the calculated M–M distances and their corresponding M–M stretching frequencies for 2 and 3 indicate the presence of metallophilic attraction; there is strong N→Cu/Ag coordination in acetonitrile, which is different from the case in previous studies of [Au2(dpm)2]2+ (1). CIS calculations show that 2 and 3 have 1,3[σ*(d)σ(s/p)] as their lowest‐energy excited state, as is also the case for 1, confirmed by unrestricted MP2 calculations. On the basis of the CIS‐optimized structures, the TD‐DFT (B3LYP) method was employed to calculate the emission spectra of such complexes. For 3, the phosphorescent emissions were calculated at 424 and 514 nm in the solid state and acetonitrile, which is comparable to the experimental data of 475 and 480 nm, respectively. The comparison between the gas‐phase and solution emissions for 1–3 reveals that the N→M coordination results in a large red‐shift of the emission wavelength. Taking previous studies into account , we found that the M–M distances are linearly correlated with the M–M stretching frequencies for the dinuclear d10 complexes. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)
Synthesis of New Tripodal Tri‐Functionalized Hydrotris(indazol‐1‐yl)borate Ligands and X‐ray Structures of Their Cyclopentadieneruthenium Complexes
Authors: Carella Alexandre , Vives Guillaume , Cox Tara , Jaud Joël , Rapenne Gwénaël , Launay Jean‐Pierre 
Published: January 2006

AbstractTwo new tripodal ligands designed to anchor complexes onto surfaces have been synthesized. They integrate ester or thioether functions at the 6‐position of the indazoles. Potassium hydrotris[6‐(ethoxycarbonyl)indazolyl]borate and potassium hydrotris{6‐[(ethylsulfanyl)methyl]indazolyl}borate exhibit three pendant groups oriented to anchor complexes onto an oxide and a metallic surface, respectively. Their complexation with [RuCp(CH3CN)3]PF6 yielded two piano‐stool‐shaped complexes that were characterized by X‐ray diffraction. Comparison with the synthesized unfunctionalized analog showed that the three 6‐substituted functions do not interfere with the coordination site and are particularly well oriented for surface deposition.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)
Synthesis and Characterisation of Alkali Metal and Thallium Polyfluoroantimonates, ASbnF5n+1 (n = 2, 3)
Authors: Benkič Primož , Brooke Jenkins H. Donald , Ponikvar Maja , Mazej Zoran 
Published: January 2006

AbstractReactions of AF (A = K, Rb, Tl) with excess liquid SbF5 in anhydrous HF (or SO2) at room temperature give products having the composition ASb2F11. The reaction between CsF and a small excess of SbF5 in anhydrous HF (0.76 mmol of CsF + 4.19 mmol of SbF5 in 4 mL of aHF) yields CsSb2F11, whereas the reaction with a large excess of SbF5 (0.79 mmol of CsF + 23 mmol of SbF5 in 10 mLof aHF) yields the salt CsSb3F16. Efforts to prepare similar compounds using the monofluorides of Li and Na led only to the already known ASbF6 compounds. Reactions of AF (A = Na, K, Rb, Cs) with liquid SbF5 at 85 °C in the absence of solvents yield the products NaSbF6, ASb2F11 (A = K, Rb) and CsSb3F16, respectively. A single‐crystal X‐ray diffraction study on the salt KSb2F11 [orthorhombic, at 250 K, Pbca, with a = 1141.65(8), b = 1279.96(9), c = 3948.5(3) pm, V = 5.7699(7) nm3 and Z = 24] has shown it to be isostructural with AgSb2F11. CsSb2F11, on the other hand, is monoclinic at 250 K [P21/n, with a = 774.10(14), b = 1425.41(17)m, c = 951.30(15) pm, β = 113.226(6)°, V = 0.9646(3) nm3 and Z = 4]. RbSb2F11 and TlSb2F11 belong to yet a third structural type. Crystals of CsSb3F16 are orthorhombic at 200 K [Pca21, with a = 2207(3), b = 772.6(11), c = 1605(3) pm, V = 2.737(8) nm3 and Z = 8]. The vibrational spectra of Sb2F11– salts are consistent with the above crystallographic assignments, showing that Sb2F11– anions deviate strongly from D4h symmetry in having no symmetry at all (point group C1). The vibrational spectra of CsSb3F16 confirm the presence of Sb3F16– anions, which adopt a cis‐fluorine‐bridged geometry consistent with the crystal structure.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)
Design and Synthesis of New Immonium‐Type Coupling Reagents
Authors: El‐Faham Ayman , Khattab Sherine N. , Abdul‐Ghani Mohamed , Albericio Fernando 
Published: January 2006

AbstractA new family of immonium‐type coupling reagents is described here. The differences in the carbocation skeletons of these reagents can be correlated with differences in stability and thus reactivity. The dihydroimidazole derivatives are highly unstable to air, whereas the salts derived from dimethylamine are the most stable and the pyrrolidino derivatives are of intermediate stability. These results should be taken into account mainly when coupling reagents are deposited in open vessels, such in some automatic synthesizers. As regards both coupling yield and retention of configuration, HOAt derivatives have been confirmed to be superior to those of HOBt in all cases. For peptides containing hindered residues, fluoroformamidinium salts are more convenient than the HOAt‐based reagents. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)
Efficient Suzuki–Miyaura Coupling Reactions between Lithium Alkynyltrimethylborates and Aryl Chlorides
Authors: Hernández Torres Gloria , Choppin Sabine , Colobert Françoise 
Published: January 2006

AbstractThe Pd‐catalysed alkynylation of alkynylboronic esters (generated in situ) with various aryl chlorides in the presence of Pd2(dba)3, the sterically hindered dihydroimidazolium salt 4 as the precatalyst and CsF is reported. Under these conditions, electron‐poor and electron‐rich aryl chlorides undergo efficient cross‐coupling reactions. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)
Calix[4]arene‐Based Chromogenic Chemosensor for the α‐Phenylglycine Anion: Synthesis and Chiral Recognition
Authors: Qing Guang‐Yan , He Yong‐Bing , Zhao Yang , Hu Chen‐Guang , Liu Shun‐Ying , Yang Xi 
Published: January 2006

AbstractCalix[4]arene‐based two‐armed chiral anion receptors 3a and 3b have been synthesized and examined for their chiral anion‐binding abilities by UV/Vis absorption and 1H NMR spectroscopy. The results of nonlinear curve fitting indicate that 3a and 3b form 1:1 stoichiometric complexes with the L‐ or D‐α‐phenylglycine anion by multiple hydrogen‐bonding interactions and exhibit good enantioselective recognition for the enantiomers of the α‐phenylglycine anions (3a: Kass(L)/Kass(D) = 4.76; 3b: Kass(D)/Kass(L) = 2.84). The marked colour changes observed for the complexation of 3a with the chiral anions and the good enantioselective recognition reveal that receptor 3a could be used as a good chiral chromogenic chemosensor for the enantiomers of the α‐phenylglycine anion. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)
Titanocene‐Mediated Radical Cyclization: An Emergent Method Towards the Synthesis of Natural Products
Authors: Barrero Alejandro F. , Quílez del Moral José F. , Sánchez Elena M. , Arteaga Jesús F. 
Published: January 2006

AbstractThe reaction of the Cp2TiCl complex with oxiranes leads to homolytic opening of the heterocycle with high regioselectivity. Although the resulting β‐titanoxyl radical can evolve in different ways, when the epoxide reacting with Cp2TiCl possesses suitable unsaturated moieties such as olefins, triple bonds, carbonyls or nitriles in its structure, intramolecular addition of this β‐titanoxyl radical to these unsaturated groups can take place, leading to a cyclization process. Structures containing from three‐ to seven‐membered rings have been synthesized using either stoichiometric or catalytic quantities of titanocene. Although a number of applications for these titanium‐mediated cyclization reactions have been reported in the synthesis of natural products and bioactive compounds such as antibiotic γ‐lactones, lignans and β‐lactams, we consider that the strategy involving the opening and ensuing cyclization of the monoepoxides of polyprenes, which resulted in the preparation of C10, C15, C20 and C30 terpenoids, including mono‐, bi‐ and tricyclic natural products, deserves special mention. Attractive aspects of this reaction are good stereochemical control and the oxidative termination of the process, which leads regioselectively to exocyclic olefins. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)
Gender, status and the use of power strategies
Authors: Keshet Shira , Kark Ronit , Pomerantz‐Zorin Limor , Koslowsky Meni , Schwarzwald Joseph 
Published: January 2006

AbstractThe present study examined the effects of gender and status on the use of power strategies. The experiment consisted of a computer‐based problem‐solving task performed in pairs, where participants interacted with simulated long‐distance partners. Participants were 36 female and 38 male undergraduate students, who were assigned to be influencing agents and were required to convince their partners to accept their help in the problem‐solving process. Status was manipulated by the extent to which partners were dependent upon the participants' resources. Partners were either same sex or other sex. Results indicated an interactive effect of agent gender by status. Men used more frequently ‘masculine’‐typed and less frequently ‘feminine’‐typed strategies than did women in low status positions, whereas in high status positions no significant gender differences in power strategy choices were found. These findings suggest that gender differences and similarities vary according to social contexts. Implications of the findings for both theory and practice are discussed. Copyright © 2006 John Wiley & Sons, Ltd.
Emotional reactions to harmful intergroup behavior
Authors: Gordijn Ernestine H. , Yzerbyt Vincent , Wigboldus Daniël , Dumont Muriel 
Published: January 2006

AbstractIn this paper, we examined reactions to situations in which, although one is not personally involved, one could see oneself connected to either the perpetrators or the victims of unfair behavior. We manipulated participants' similarity and measured their identification to either one of two groups which participants later learned was the victim or the perpetrator of harmful behavior. As predicted, making salient similarities to the victims lead participants to: 1) appraise the perpetrator's behavior as more unfair; 2) experience more anger; and 3) be more likely to take action against it and less prone to show support for it as a function of their level of identification with their salient ingroup. In sharp contrast, focusing participants' attention on their similarities to the perpetrators reversed this pattern of findings: Compared to high identifiers, low identifiers appraised the behavior as more unfair than high identifiers, which made them feel angry (and guilty) and less likely to show support for the perpetrator's behavior. The data also provide strong support for a mediational model in which appraisal of the situation colors the emotional reaction which in turn orients action tendencies. We discuss the implications of our findings for the issue of group‐based emotions. Copyright © 2006 John Wiley & Sons, Ltd.
Effect of self‐monitoring on binge eating: treatment response or ‘binge drift’?
Authors: Hildebrandt Tom , Latner Janet 
Published: January 2006

AbstractThe current study aimed to determine if subjective bulimic episodes (SBEs) and objective bulimic episodes (OBEs) have different reactive effects to self‐monitoring. Fourteen women with bulimia nervosa (57%) or binge eating disorder (43%) were diagnosed using the Eating Disorder Examination (EDE; version 12.0). During the 7‐days post‐interview, participants filled out daily self‐monitoring records indicating the food consumed and any episodes of loss of control over eating. These records were reviewed and coded for OBEs and SBEs using the EDE coding scheme. Paired samples t‐tests indicated that participants' average number of daily OBEs significantly decreased from baseline to the period of self‐monitoring (t = 2.41, p < 0.05, Cohen's d = 0.90), whereas there was a significant increase from baseline to self‐monitoring in their average number of SBEs (t = −2.41, p < 0.05, Cohen's d = 0.86). Of the 12 participants who showed a decrease in OBEs, 75% showed a concurrent increase in SBEs. The data suggest that the reactivity of OBEs to minimal or brief interventions may in part be due to binge drift, or the reduction of OBEs at the expense of increasing SBEs. Copyright © 2006 John Wiley & Sons, Ltd and Eating Disorders Association.
Cognitive‐behavioural therapy for adolescents with bulimia nervosa
Authors: Wilson G. Terence , Sysko Robyn 
Published: January 2006

AbstractPsychological and pharmacological treatments for bulimia nervosa (BN) have been studied extensively in adults, but there are no published controlled treatment studies of adolescents with BN. One option for treating adolescents with BN is to adapt cognitive‐behavioural therapy (CBT) for younger individuals. The rationale for developing CBT for adolescents with BN is three‐fold: the efficacy of CBT for adult patients with BN, the efficacy of CBT in treating adolescents with other clinical disorders, and the conceptual fit between CBT and adolescent eating disorders. CBT should be tailored to the treatment of adolescents, with particular focus on domains of development, including: motivation, cognitive processing, interpersonal functioning, and family involvement. A recently described new version of CBT for BN (Fairburn, Cooper, & Shafran, 2003) is well‐suited for adapting manual‐based CBT from adults to adolescents. Future research should evaluate the efficacy of CBT for the treatment of adolescents with BN and related eating disorders. Copyright © 2006 John Wiley & Sons, Ltd and Eating Disorders Association.
Understanding intimacy for women with anorexia nervosa: a phenomenological approach
Authors: Newton M. , Boblin S. , Brown B. , Ciliska D. 
Published: January 2006

AbstractIntimacy is considered as an essential aspect of ‘ideal’ romantic relationships and Western culture, in particular, places a strong emphasis on its value. Despite this, intimacy has been largely unexamined for women with anorexia nervosa (AN). This phenomenological study sought to describe the subjective experiences of intimacy for this group of women; a purposive sample of 11 participated in in‐depth, semi‐structured interviews. Whereas previous research has drawn little attention to the contextual factors that support intimate and non‐intimate experiences for women with AN, participants in this study were able to identify what intimacy meant to them, their experiences with intimacy and what they needed within their romantic relationships to be intimate. The women's meanings and experiences with intimacy were consistent with generalized conceptualizations of emotional and physical closeness, and companionship through parenting. These findings augment current research, and may better assist in tailoring specific interventions to foster intimacy and minimize impediments to intimacy. Copyright © 2006 John Wiley & Sons, Ltd and Eating Disorders Association.
Eating and body image disturbances across cultures: a review
Authors: Soh Nerissa L. , Touyz Stephen W. , Surgenor Lois J. 
Published: January 2006

AbstractObjectiveTo critically review the literature examining the impact of acculturation, socio‐economic status, family functioning and psychological control in relation to eating and body image disturbances across cultures.MethodA review of the literature on eating disorders, eating and body image disturbances, psychological control, body composition, socio‐economic status and family functioning on different cultural groups.ResultsOf the empirical studies undertaken, few investigated a cultural group's eating pathology in both its country of origin and a Western country using the same methodology. To date, the research findings are mixed and it is still unclear if the presentation of an eating disorder differs across cultures. Acculturation has not been consistently taken into consideration and psychological control has not been examined in relation to eating disturbances in non‐Western groups.DiscussionThis review focuses on some of the methodological limitations of previous research and attempts to delineate the salient issues which warrant further scientific enquiry. Copyright © 2006 John Wiley & Sons, Ltd and Eating Disorders Association.