bluuebunny/crossref_metadata_2025_split huggingface dataset:
Mass Spectrometry Study and Infrared Spectroscopy of the Complex Between Camphor and the Two Enantiomers of Protonated Alanine: The Role of Higher‐Energy Conformers in the Enantioselectivity of the Dissociation Rate Constants
Authors: Sen Ananya , Le Barbu‐Debus Katia , Scuderi Debora , Zehnacker‐Rentien Anne 
Published: June 2013

ABSTRACTThe properties of the protonated complexes built from S camphor and R or S alanine were studied in a Paul ion trap at room temperature by collision‐induced dissociation (CID) and infrared multiple‐photon dissociation spectroscopy (IRMPD), as well as molecular dynamics and ab initio calculations. While the two diastereomer complexes display very similar vibrational spectra in the fingerprint region, in line with similar structures, and almost identical calculated binding energies, their collision‐induced dissociation rates are different. Comparison of the IRMPD results to computed spectra shows that the SS and SR complexes both contain protonated alanine strongly hydrogen‐bonded to the keto group of camphor. The floppiness of this structure around the NH+…O = C hydrogen bond results in a complex potential energy surface showing multiple minima. Calculating the dissociation rate constant within the frame of the transition state theory shows that the fragmentation rate larger for the heterochiral SR complex than the homochiral SS complex can be explained in terms of two almost isoenergetic low‐energy conformers in the latter that are not present for the former. Chirality 25:436‐443, 2013. © 2013 Wiley Periodicals, Inc.
Combined Use of Ionic Liquid and Hydroxypropyl‐β‐Cyclodextrin for the Enantioseparation of Ten Drugs by Capillary Electrophoresis
Authors: Cui Yan , Ma Xiaowei , Zhao Min , Jiang Zhen , Xu Shuying , Guo Xingjie 
Published: June 2013

ABSTRACTIn the present study, hydroxypropyl‐β‐cyclodextrin and an ionic liquid (1‐ethyl‐3‐methylimidazolium‐l‐lactate) were used as additives in capillary electrophoresis for the enantioseparation of 10 analytes, including ofloxacin, propranolol hydrochloride, dioxopromethazine hydrochloride, isoprenaline hydrochloride, chlorpheniramine maleate, liarozole, tropicamide, amlodipine benzenesulfonate, brompheniramine maleate, and homatropine methylbromide. The effects of ionic liquid concentrations, salt effect, cations, and anions of ionic liquids on enantioseparation were investigated and the results proved that there was a synergistic effect between hydroxypropyl‐β‐cyclodextrin and the ionic liquid, and the cationic part of the ionic liquid played an important role in the increased resolution. With the developed dual system, all the enantiomers of 10 analytes were well separated in resolutions of 5.35, 1.76, 1.85, 2.48, 2.88, 1.43, 5.45, 4.35, 2.76, and 2.98, respectively. In addition, the proposed method was applied to the determination of the enantiomeric purity of S‐ofloxacin after validation of the method in terms of selectivity, repeatability, linearity range, accuracy, precision, limit of detection (LOD), and limit of quality (LOQ). Chirality 25:409–414, 2013. © 2013 Wiley Periodicals, Inc.
Optimisation of an industrial wastewater decontamination plant: An environment‐oriented approach
Authors: Charles Jérémie , Crini Grégorio , Bradu Corina , Torri Giangiacomo , Gavoille Sophie , Sancey Bertrand , Morin‐Crini Nadia , Trunfio Giuseppe , Badot Pierre‐Marie , Winterton Peter , Lagarrigue Céline 
Published: June 2013

AbstractOver a period of 24 months of operation, we optimised a physicochemical plant for the decontamination of surface treatment industrial wastewater. This article presents the abatements obtained in the levels of chemical pollution after the various optimisations validated in the laboratory and then transposed to the industrial site. The optimisation of the plant reduced the effluent organic load, nitrite and zinc levels by about 70%, 85% and 80%, respectively. To evaluate the utility of each optimisation proposal, standard bioassays based on lettuce seed germination were carried out on the final effluent. Decreasing concentrations of pollutants in the effluent led to a reduction of its impact on seed germination. The bioassays confirmed the environmental benefits obtained from the optimisation of the treatment plant. The biological tests proposed seem to be good indicators of the contaminant concentrations present in wastewater.
Rheological characterisation and phenomenological modelling of non‐aqueous nano‐suspensions of iron carbide produced by plasma spray
Authors: Abatzoglou Nicolas , Gosselin Ryan , Inam Muhammad Asif 
Published: June 2013

AbstractOpaque non‐aqueous suspensions of nano‐particles mixtures are difficult to analyse directly in terms of particle behaviour under shear conditions (flow). This work proposes a rheological characterisation of a nano‐iron‐carbide‐rich solid phase dispersed in decalin. These suspensions have shown a non‐Newtonian, shear thinning, no‐thixotropic behaviour at three temperature levels and five concentration levels. Based on acoustic attenuation spectroscopy, it is concluded that the aggregation state of the suspension does not change with solids content. The relationship between viscosity, concentration and shear rate was modelled at three temperature levels using two phenomenological methods.
Impact of fugitive bitumen on polymer‐based flocculation of mature fine tailings
Authors: Klein Colin , Harbottle David , Alagha Lana , Xu Zhenghe 
Published: June 2013

AbstractIn bitumen recovery from oil sands, a percentage of the bitumen is lost to tailings. The effect of fugitive bitumen on fines settling and consolidation in tailings ponds remains controversial. In the current study, the settling performance of mature fine tailings (MFT) in response to flocculant addition was considered by studying MFT of varying bitumen content. Bitumen content in the MFT was adjusted by controlled removal of bitumen using a Denver flotation cell. The initial settling rate of flocculated MFT was observed to increase with decreasing bitumen content from 0.45 to 0.18 wt%. A further reduction in bitumen content was found to dramatically decrease the settling rate of flocculated MFT. Such behaviour seems counterintuitive since the polymer flocculant was found to have a greater affinity for ‘clean’ surfaces (Al2O3) than for bitumen contaminated surfaces, as measured by quartz crystal microbalance with dissipation (QCM‐D), which would predict a further increase in settling rate of flocculated MFT with decreasing bitumen content. The reduction in settling rate below a critical bitumen content is thought to result from selective removal of hydrophobic solids, since washing of untreated MFT with toluene is shown to significantly improve settling of flocculated solids. The current study confirms the use of flotation as a viable option to control MFT bitumen content and improve the settling rate of flocculated MFT.
Optimization of the Design of Extremely Thin Absorber Solar Cells Based on Electrodeposited ZnO Nanowires
Authors: Lévy‐Clément Claude , Elias Jamil 
Published: June 2013

AbstractThe properties of the components of ZnO/CdSe/CuSCN extremely thin absorber (ETA) solar cells based on electrodeposited ZnO nanowires (NWs) were investigated. The goal was to study the influence of their morphology on the characteristics of the solar cells. To increase the energy conversion efficiency of the solar cell, it was generally proposed to increase the roughness factor of the ZnO NW arrays (i.e. to increase the NW length) with the purpose of decreasing the absorber thickness, improving the light scattering, and consequently the light absorption in the ZnO/CdSe NW arrays. However, this strategy increased the recombination centers, which affected the efficiency of the solar cell. We developed another strategy that acts on the optical configuration of the solar cells by increasing the diameter of the ZnO NW (from 100 to 330 nm) while maintaining a low roughness factor. We observed that the scattering of the ZnO NW arrays occurred over a large wavelength range and extended closer to the CdSe absorber bandgap, and this led to an enhancement in the effective absorption of the ZnO/CdSe NW arrays and an increase in the solar cell characteristics. We found that the thicknesses of CuSCN above the ZnO/CdSe NW tips and the CdSe coating layer were optimized at 1.5 μm and 30 nm, respectively. Optimized ZnO/CdSe/CuSCN solar cells exhibiting 3.2 % solar energy conversion efficiency were obtained by using 230 nm diameter ZnO NWs.
Intrinsic Peroxidase Catalytic Activity of Fe7S8 Nanowires Templated from [Fe16S20]/Diethylenetriamine Hybrid Nanowires
Authors: Yao Wei‐Tang , Zhu Hai‐Zhou , Li Wei‐Gu , Yao Hong‐Bin , Wu Yu‐Cheng , Yu Shu‐Hong 
Published: June 2013

AbstractIron sulfide compounds are emerging as an important family of functional materials owing to their important properties and their applications in different technical fields. Well‐defined Fe7S8 nanowires templated by thermal decomposition of [Fe16S20]/diethylenetriamine hybrid nanowires under an argon atmosphere are reported. As‐prepared Fe7S8 nanowires show typical Michaelis–Menten kinetics and good affinity to both H2O2 and 3,3′,5,5′‐tetramethylbenzidine. At pH 7.0, the constructed UV/Vis sensor showed a linear range for the detection of H2O2 from 0.5 to 150 μM with a correlation coefficient of 0.9998. The H2O2 sensor based on the Fe7S8 nanowires shows a highly sensitive response and has better stability than horseradish peroxidase when exposed to solutions with different pH values and temperatures. These excellent properties make the as‐prepared Fe7S8 nanowires powerful tools for potential applications as an “artificial peroxidase” in biosensors and biotechnology.
Growth and spectral properties of Er3+/Tm3+ co‐doped LiYF4 single crystal
Authors: Wang Peiyuan , Xia Haiping , Peng Jiangtao , Hu Haoyang , Tang Lei , Dong Yanming , Fu Li , Jiang Haochuan , Chen Baojiu 
Published: June 2013

High quality Er3+/Tm3+:LiYF4 single crystals were grown by a Bridgman method. The absorption spectra and luminescent properties of the crystals were studied to characterize the effect of Tm3+ on the spectroscopic properties upon excitation of an 800 nm laser diode. The broaden 1.5 μm and the enhanced 2.7 μm emission were observed in the Er3+/Tm3+ co‐doped LiYF4 single crystals. Meanwhile, the up‐conversion and 1.5 μm emission intensities from Er3+ decrease with increasing the ratio of Tm3+ to Er3+. The energy transfer processes between Tm3+ and Er3+ in the Er3+/Tm3+ co‐doped samples were analyzed. The energy transfer efficiency ηETE from Er3+ to Tm3+ is calculated. The highest ηETE of 65.30% for the sample with 0.296 mol% of Er3+, 0.496 mol% of Tm3+ concentration was obtained. The present work indicates that Er3+/Tm3+ co‐doped LiYF4 single crystal can be a promising material for the potential application in infrared devices.
Methane Adsorption on Aggregates of Fullerenes: Site‐Selective Storage Capacities and Adsorption Energies
Authors: Kaiser Alexander , Zöttl Samuel , Bartl Peter , Leidlmair Christian , Mauracher Andreas , Probst Michael , Denifl Stephan , Echt Olof , Scheier Paul 
Published: June 2013

AbstractMethane adsorption on positively charged aggregates of C60 is investigated by both mass spectrometry and computer simulations. Calculated adsorption energies of 118–281 meV are in the optimal range for high‐density storage of natural gas. Groove sites, dimple sites, and the first complete adsorption shells are identified experimentally and confirmed by molecular dynamics simulations, using a newly developed force field for methane–methane and fullerene–methane interaction. The effects of corrugation and curvature are discussed and compared with data for adsorption on graphite, graphene, and carbon nanotubes.
Optimizing content routers deployment in large‐scale information centric core‐edge separation Internet
Authors: Chen Jia , Zhang Hongke , Zhou Huachun , Luo Hongbin 
Published: June 2013

SUMMARYIn this paper, we investigate the optimization of content router deployment in large‐scale information centric core‐edge separation Internet. We formulate the target cost function, which captures the trade‐off between the cost for traffic transmission and cost due to additional deployment of content routers. To solve the problem, we first derive the analytical results of traffic ratio and its closed‐form approximation. We then construct a convex optimization problem, from which the optimal deployment probability can be solved. By extensive numerical results, the accuracy of the closed‐form approximation of traffic ratio is demonstrated. And, it is found that the optimal deployment probability is decided by the average number of hops for obtaining the content, the cost for traffic transmission, and the cost of extending router to content router. Copyright © 2013 John Wiley & Sons, Ltd.
Functional neuroanatomy of body checking in people with anorexia nervosa
Authors: Suda Masashi , Brooks Samantha J. , Giampietro Vincent , Friederich Hans‐Christoph , Uher Rudolf , Brammer Michael J. , Williams Steven C.R. , Campbell Iain C. , Treasure Janet 
Published: June 2013

ABSTRACTObjectiveThe neural correlates of body checking perceptions in eating disorders have not yet been identified. This functional Magnetic Resonance Imaging study examined the neuroanatomy involved in altered perception and identification with body checking in female with anorexia nervosa (AN).MethodBrain activation while viewing images depicting normal weight individuals involved in either body checking behavior or a neutral (noneating disorder) body action, was compared between 20 females with AN and 15 matched healthy controls (HC).ResultsFemales with AN reported higher anxiety compared to HC during the body checking task. The level of anxiety positively correlated with body shape concern scores. People with AN had less activation in the medial prefrontal cortex (PFC) and right fusiform gyrus compared to HC in response to body checking compared to neutral action images. Body shape concern scores correlated negatively with medial PFC activation in AN group.DiscussionThis preliminary study with modest power suggests that AN patients have reduced activation in cortical areas associated with self‐reference, body action perception, and social cognition in females with AN. © 2013 Wiley Periodicals, Inc. (Int J Eat Disord 2013; 46:653–662)
Synthesis of Substituted Oxazoles from N‐Benzyl Propargyl Amines and Acid Chlorides
Authors: v. Wachenfeldt Henrik , Paulsen Filip , Sundin Anders , Strand Daniel 
Published: June 2013

AbstractThe reaction between N‐benzylpropargylamines and acid chlorides at elevated temperatures provides efficient, direct access to a variety of di‐ and tri‐substituted oxazoles. The versatility of this reaction is explored and 21 examples are demonstrated. The usefulness of the methodology is showcased through the short and efficient formal syntheses of medicinally relevant drugs aleglitazar and romazarit.
Community identity as resource and context: A mixed method investigation of coping and collective action in a disadvantaged community
Authors: McNamara Niamh , Stevenson Clifford , Muldoon Orla T. 
Published: June 2013

AbstractSocial identities enhance members' well‐being through the provision of social support and feelings of collective efficacy as well as by acting as a basis for collective action. However, the precise mechanisms through which identification acts to enhance well‐being can be complicated by stigmatisation, which potentially undermines solidarity and collective action. The present research examines a real‐world stigmatised community group in order to investigate the following: (1) the community identity processes that act to enhance well‐being and collective action and (2) the consequences of stigmatisation for these processes. Study 1 consisted of a household survey conducted in disadvantaged areas of Limerick city in Ireland. Participants (n = 322) completed measures of community identification, social support, collective efficacy, community action and psychological well‐being. Mediation analysis indicated that perceptions of collective efficacy are an important mediator of the effect of identification upon well‐being. However, levels of self‐reported community action were low and unrelated to community identification. In Study 2, 14 follow‐up multiple‐participant interviews with residents and community group workers were thematically analysed, revealing high levels of stigmatisation, which was reported to lead to disengagement from identity‐related collective action. These findings indicate the potential for stigma to reduce collective action through undermining solidarity and social support. Copyright © 2013 John Wiley & Sons, Ltd.
Relative deprivation versus system justification: Polemical social representations and identity positioning in a post‐Soviet society
Authors: Kus Larissa , Liu James , Ward Colleen 
Published: June 2013

AbstractSocietal changes involving power reversal may pose challenges to system justification by a subordinate minority group that had previously held a more privileged position. Derived from originally exploratory qualitative investigation, this paper presents an account of endorsement of justifying the status quo versus the voicing relative deprivation in the context of post‐Soviet Estonia. Experiences of alternative societal arrangements in history were actively deployed by (minority ethnic) Estonian Russians to generate temporal comparisons with the past as a cognitive alternative to the present status quo and give voice to experiences of relative deprivation. A struggle for positive social identity was interpreted to motivate Estonian Russians to mobilize the past as a cognitive alternative to delegitimize the status quo. By contrast, Russians were portrayed as invaders, and the Soviet past was represented as unjust by (the majority ethnic) Estonians, whereas the present system was depicted as fair and equitable. Mutually, polemical representations of history and narratives of identity provide the lenses through which the legitimacy of new societal arrangements following the major social change is interpreted. Copyright © 2013 John Wiley & Sons, Ltd.
Mixed Methods and Credibility of Evidence in Evaluation
Authors: Mertens Donna M. , Hesse‐Biber Sharlene 
Published: June 2013

AbstractWe argue for a view of credible evidence that is multidimensional in philosophical and methodological terms. We advocate for the importance of deepening the meaning of credible evaluation practice and findings by bringing multiple philosophical and theoretical lenses to the evaluation process as a basis for the use of mixed methods in evaluation, thus providing evaluators with strategies for garnering more complex and diverse perspectives on the creation of credible evidence. ©Wiley Periodicals, Inc., and the American Evaluation Association.
Incorporating Qualitative Evidence in Systematic Reviews: Strategies and Challenges
Authors: Caracelli Valerie J. , Cooksy Leslie J. 
Published: June 2013

AbstractThe quality of mixed methods systematic reviews relies on the quality of primary‐level studies. The synthesis of qualitative evidence and the recent development of synthesizing mixed methods studies hold promise, but also pose challenges to evidence synthesis. ©Wiley Periodicals, Inc., and the American Evaluation Association.
Reflections and Ruminations
Authors: Greene Jennifer C. 
Published: June 2013

AbstractThis is a timely issue on the contributions of mixed methodology to the contemporary demand for credible evaluative evidence on which to base policy and resource‐allocation decisions. The character of evidence—especially evidence on the quality and effectiveness of efforts to improve the life quality or even life chances of many in our societies—requires the best minds from all corners of the evaluation community. The mixed methods voice is needed in the evidence‐based conversation. ©Wiley Periodicals, Inc., and the American Evaluation Association.
Diametric changes in trends and patterns of extreme rainfall over India from pre‐1950 to post‐1950
Authors: Vittal H. , Karmakar Subhankar , Ghosh Subimal 
Published: June 2013

AbstractSpatially aggregated extreme rainfall over India shows an increasing trend over the last 50 years of the 20th century, while fine‐resolution analysis reveals a spatially nonuniform trend. Analysis of 104 years (1901–2004) extreme precipitation over India at 1° resolution, using Extreme Value Theory, reveals that post‐1950 extreme rainfall characteristics (intensity, duration, and frequency) and their trends are significantly different from those of before 1950, with spatial nonuniformity. Majority of the locations in India have post‐1950 trends of extremes with a different sign as compared to pre‐1950. Further investigations with statistical change point analysis reveal that fraction of grid points having post‐1975 changes is maximum. Majority of the urbanized areas have post‐1975 change points, while the same is not true for nonurban areas. As urbanization has intensified during 1971–1981 in India, these results indicate the possible impacts of urbanization on extreme rainfall trends and patterns.
SUPPLY‐SIDE RESPONSE TO DECLINING HEROIN PURITY: FENTANYL OVERDOSE EPISODE IN NEW JERSEY
Authors: Hempstead Katherine , Yildirim Emel O. 
Published: June 2013

ABSTRACTThe inelastic price demand observations characteristic of illegal drug markets have led to the conclusion that the burden of a negative supply shock would be completely reflected to consumers. This paper argues that the increasing availability of prescription opioids may threaten heroin sellers' profit margin and force them to find alternative methods to compensate buyers in the event of a supply shock. We investigate the 2006 fentanyl overdose episode in New Jersey and argue that the introduction of non‐pharmaceutical fentanyl, its spatial distribution, and the timing of overdose deaths may have been related to trends in heroin purity. Using medical examiner data, as well as data from the Drug Enforcement Administration, Office of Diversion Control on retail sales of prescription opioids in a negative binomial specification, we show that month‐to‐month fluctuations in heroin purity have a significant effect on fentanyl‐related overdoses, particularly in those areas where prescription opioids are highly available. Copyright © 2013 John Wiley & Sons, Ltd.
Light‐Activated Metal Complexes that Covalently Modify DNA
Authors: Glazer Edith C. 
Published: June 2013

AbstractMany drugs in current clinical use rely on mechanisms of action that involve damage to nucleic acids. While this has been a successful therapeutic approach for many years, the major limitation of these agents is systemic cytotoxicity, resulting from damage caused to healthy cells. Photoactive metal complexes offer the possibility of combining two successful treatment modalities for cancer and other diseases by providing DNA damage similar to that obtained with cisplatin, but in a spatially and temporally controlled manner, as with phototherapy. Recent progress in the field has provided metal complexes that can be triggered to create covalent adducts with nucleic acids both in vitro and in cells. Furthermore, several of these agents have been shown to induce cytotoxicity in cancer cell lines, in vitro tumor models, and in vivo animal models. In the last year, new compounds have been reported that can be activated with low energy light within the “therapeutic window,” where light penetration through tissue is sufficient to access larger volume tumors. This review highlights the advances that demonstrate the potential of light‐activated metal complexes as therapeutics and research tools for biomedical applications.