bluuebunny/crossref_metadata_2025_split huggingface dataset:
The Preparation and Structure of [Pt(S2N2){P(OR)nR′3–n}2] and [Pt(SeSN2)­{P(OMe)nPh3–n}2] (n = 0–3)
Authors: Waddell Paul G. , Slawin Alexandra M. Z. , Sieffert Nicolas , Bühl Michael , Woollins J. Derek 
Published: June 2010

AbstractDissolution of [S4N3]Cl in liquid ammonia produces a reactive solution which on treatment with cis [PtCl2(PR3)2] gives [S2N2]2– complexes in 32–76 % yields. Similarly, SeCl4 and [S4N3]Cl in a ratio of 5:1 react cleanly with cis‐[PtCl2{P(OMe)nPh3–n}] to give the desired selenosulfur dinitrido, [SeSN2]2– complexes with no phosphorus containing starting material evident by 31P NMR spectroscopy. The new complexes were characterised by IR, 31P NMR, microanalysis and X‐ray crystallography with nine crystal structures being reported. In 31P nmr the 1J PtP coupling constants are influenced by the oxygen content of their phosphorus ligands. In the mixed chalcogen complexes the Pt–N bond lengths appear to follow a simple trend as a consequence of the electronic properties of the phosphorus ligand and these trends can be interpreted empirically by examination of the LUMO but are not well supported by DFT calculations.
The topographic imprint of a transient climate episode: the western Andean flank between 15·5° and 41·5°S
Authors: Rehak K. , Bookhagen B. , Strecker M. R. , Echtler H. P. 
Published: May 2010

AbstractMountain‐range topography is determined by the complex interplay between tectonics and climate. However, often it is not clear to what extent climate forces topographic evolution and how past climatic episodes are reflected in present‐day relief.The Andes are a tectonically active mountain belt encompassing various climatic zones with pronounced differences in rainfall, erosion, and glacier extent under similar plate‐boundary conditions. In the central to south‐western Andes, climatic zones range from hyperarid desert with mean annual rainfall of 5 mm/a (22·5°S) to year‐round humidity with 2500 mm/a (40°S). The Andes thus provide a unique setting for investigating the relationship between tectonics, climate, and topography.We present an analysis of 120 catchments along the western Andean watersheds between 15·5° and 41·5°S, which is based on SRTMV3‐90m data and new medium‐resolution rainfall, tropical rainfall measurement mission (TRMM) dataset. For each basin, we extracted geometry, relief, and climate parameters to test whether Andean topography shows a climatic imprint and to analyze how climate influences relief.Our data document that elevation and relief decrease with increasing rainfall and descending snowline elevation. Furthermore, we show that local relief reaches high values of 750 m in a zone between 28°S to 35°S. During Pleistocene glacial stages this region was affected by the northward shifting southern hemisphere Westerlies, which provided moisture for valley‐glacier formation and extended glacial coverage as well as glacial erosion. In contrast, the southern regions between 35°S to 40°S receive higher rainfall and have a lower local relief of 200 m, probably related to an increased drainage density. We distinguish two different, climatically‐controlled mechanisms shaping topography: (1) fluvial erosion by prolonged channel‐hillslope coupling, which smoothes relief, and (2) erosion by valley glaciers that generates relief. Finally, Our results suggests that the catchment‐scale relief of the Andes between 28°S to 35°S is characterized by a pronounced transient component reflecting past climatic conditions. Copyright © 2010 John Wiley & Sons, Ltd.
Ethernet label spaces dependency on network topology
Authors: Caro Luis F. , Papadimitriou Dimitri , Marzo Jose Luis 
Published: June 2010

AbstractLabel space consumption has been studied in label‐based forwarding architectures such as multi‐protocol label switching (MPLS) to reduce forwarding table sizes and lookup complexity, to simplify network management, and to limit operational expenditures. On the other hand, nowadays label‐based forwarding is also considered in the context of carrier class Ethernet architectures. Given that these architectures may use different label scopes (domain‐widevs. local) and size spaces (depending on their encoding), there is a need to analyse and compare the properties of their respective label spaces, particularly in terms of scalability. In this paper, the impact of topology characteristics on label space consumption is studied. The dependency on factors such as the number of nodes, the topology node degree and the network structure is determined (both analytically andviaexperimentation), allowing a detailed comparison between the properties of the evaluated label spaces. Proposed techniques that can be applied to improve label space usage for label‐based Ethernet forwarding architectures are considered. The proposed methodology and results can serve as guidelines for the design of future label based forwarding architectures. Copyright © 2010 John Wiley & Sons, Ltd.
Ab initioinvestigation on the ion‐associated species and process in Mg(NO3)2solution
Authors: Zhang Hao , Zhang Yun‐Hong 
Published: May 2010

AbstractIn the present article, two focal subjects, i.e., hydration of the NOand associated ion species in the Mg(NO3)2solution are researched by using theab initiomethod. Nitrate ions with the hydration number of 1–6 are optimized at the HF/6‐31+G* level. Their relative energies, binding energies, andv1‐NOfrequencies are also presented. The investigation of the binding energies shows the hydration number is 3–6 in the solvent abundant environment. The associated species, including ion pairings, triple‐ and multiple‐ion clusters, are also optimized at the same level and theirv1‐NOfrequencies are calculated for comparing with the results in experiments. From the comparison, the new associated process via aqueous free ions → solvent‐shared ion pairings → solvent‐shared triple and multiple ion clusters → contact multiple ion clusters → amorphous crystal is proposed. © 2010 Wiley Periodicals, Inc. J Comput Chem 2010
Comparison of aromatic NH···π, OH···π, and CH···π interactions of alanine using MP2, CCSD, and DFT methods
Authors: Mohan Neetha , Vijayalakshmi Kunduchi P. , Koga Nobuaki , Suresh Cherumuttathu H. 
Published: May 2010

AbstractA comparison of the performance of various density functional methods including long‐range corrected and dispersion corrected methods [MPW1PW91, B3LYP, B3PW91, B97‐D, B1B95, MPWB1K, M06‐2X, SVWN5, ωB97XD, long‐range correction (LC)‐ωPBE, and CAM‐B3LYP using 6‐31+G(d,p) basis set] in the study of CH···π, OH···π, and NH···π interactions were done using weak complexes of neutral (A) and cationic (A+) forms of alanine with benzene by taking the Møller–Plesset (MP2)/6‐31+G(d,p) results as the reference. Further, the binding energies of the neutral alanine–benzene complexes were assessed at coupled cluster (CCSD)/6‐31G(d,p) method. Analysis of the molecular geometries and interaction energies at density functional theory (DFT), MP2, CCSD methods and CCSD(T) single point level reveal that MP2 is the best overall performer for noncovalent interactions giving accuracy close to CCSD method. MPWB1K fared better in interaction energy calculations than other DFT methods. In the case of M06‐2X, SVWN5, and the dispersion corrected B97‐D, the interaction energies are significantly overrated for neutral systems compared to other methods. However, for cationic systems, B97‐D yields structures and interaction energies similar to MP2 and MPWB1K methods. Among the long‐range corrected methods, LC‐ωPBE and CAM‐B3LYP methods show close agreement with MP2 values while ωB97XD energies are notably higher than MP2 values. © 2010 Wiley Periodicals, Inc. J Comput Chem 2010
Numerical modeling of the output and operations of semiconductor lasers subject to strong optical feedback and its dependence on the linewidth‐enhancement factor
Authors: Abdulrhmann Salah , Yamada Minoru , Ahmed Moustafa 
Published: June 2010

AbstractInfluence of the linewidth‐enhancement factor on the output and operations of InGaAs/InP pumping lasers emitting at a wavelength of 980 nm under strong optical feedback is investigated numerically. The investigations are performed based on intensive numerical integration of an improved time‐delay rate equations of semiconductor lasers over wide ranges of the linewidth‐enhancement factor and optical feedback strength. The results show that the semiconductor laser operates under strong optical feedback in continuous wave and pulsation at small values of the linewidth‐enhancement factor. Under large values of the linewidth‐enhancement factor, the laser happens to exhibit chaos and pulsation. We predict that semiconductor laser subjected to strong optical feedback exhibits much more stable pulsing operation under higher values of the linewidth‐enhancement factor, which indicates that the laser is locked at the external cavity frequency. Copyright © 2010 John Wiley & Sons, Ltd.
The development of olive tourism in Western Australia: a case study of an emerging tourism industry
Authors: Alonso Abel Duarte , Northcote Jeremy 
Published: June 2010

AbstractThe recent development of olive growing in Western Australia, and its amalgamation with tourism and hospitality, provides opportunities for growers to showcase their products and for visitors to experience olive‐tasting and learn about an ancient food culture and rural activity ‘transplanted’ into the ‘New World’ from its ‘Old World’ roots. The present study examines the dimensions of this emerging niche market in Western Australia. Face‐to‐face and telephone interviews were conducted among 23 small olive‐growing operations located in this region to understand their scope for developing olive tourism. Overall, respondents' comments suggest that their involvement in olive tourism and hospitality could substantially provide benefits for visitors to rural areas and become a complementary alternative to other activities. To fulfil this potential, however, growers heavily rely on greater collaboration within their own industry, as well as on local authorities and tourism bodies in ways that include assistance, partnerships and promotion. Moreover, collaboration between olive growers and regional/tourism stakeholders, as well as government support may not only contribute to the sustainability of olive growing, but also to the emergence of olive tourism. In turn, these developments may also help develop a culinary identity and a tourism concept that may help minimise the threats of outside competition (cheaper olive imports) and rural decline. Copyright © 2010 John Wiley & Sons, Ltd.
In search of heterotopia? Motivations of visitors to an English cathedral
Authors: Gutic Jorge , Caie Eliza , Clegg Andy 
Published: June 2010

AbstractThis paper explores visitor motivations at an English cathedral, and the role that heterotopia plays in their motives. More than a third of visitors to Chichester Cathedral appear to be motivated by a subconscious search for a spiritual experience, hidden by rational motives such as interest in history. It concludes by examining the management implications that arise from a potential lack of understanding about visitors' motivations. Cathedral managers should acknowledge their visitors' intrinsic sense of spirituality and recognise their spiritual motivations through interpretation, which should encourage them to explore their personal narratives around the emotional dimension of visiting a cathedral. Copyright © 2010 John Wiley & Sons, Ltd.
Managing on three planes
Authors: Mintzberg Henry 
Published: June 2010

AbstractTop performance is “a question of building strong institutions, not creating heroic leaders. Heroic leaders get in the way of strong institutions,” Henry Mintzberg says in this interview. He focuses on his latest book, Managing, and describes how a leader manages on three planes, from the conceptual to the concrete: with information, through people, and to action directly. He also shares some frank opinions about the quality of management and leadership today.
Enhanced automated structure elucidation by inclusion of two‐bond specific data
Authors: Cheatham Steve F. , Kline Mike , Sasaki Ryan R. , Blinov Kirill A. , Elyashberg Mikhail E. , Molodtsov Sergey G. 
Published: June 2010

AbstractThe availability of cryogenically cooled probes permits routine acquisition of data from low sensitivity pulse sequences such as inadequate and 1,1‐adequate. We demonstrate that the use of cryo‐probe generated 1,1‐adequate data in conjunction with HMBC dramatically improves computer‐assisted structure elucidation (CASE) both in terms of speed and accuracy of structure generation. In this study data were obtained on two dissimilar natural products and subjected to CASE analysis with and without the incorporation of two‐bond specific data. Dramatic improvements in both structure calculation times and structure candidates were observed by the inclusion of the two‐bond specific data. Copyright © 2010 John Wiley & Sons, Ltd.
Hippocampal and amygdala volumes in borderline personality disorder: A meta‐analysis of magnetic resonance imaging studies
Authors: Hall Jeremy , Olabi Bayanne , Lawrie Stephen M. , McIntosh Andrew M. 
Published: June 2010

AbstractBackground Structural brain abnormalities have been described in borderline personality disorder (BPD), but previous studies have generally been small and have implicated different brain regions to varying extents.Method We therefore conducted a systematic review and meta‐analysis of published volumetric region‐of‐interest structural magnetic resonance imaging studies of patients with BPD and healthy controls. We additionally used meta‐regression to investigate the modulating effects of clinical parameters, including age, on regional brain volumes.Results The meta‐analysis revealed significant bilateral decreases in hippocampal and amygdala volumes in patients with BPD compared with healthy control participants, in the absence of differences in whole‐brain volume. Metaregression demonstrated an association between increasing age and reduced hippocampal volumes in BPD.Discussion Overall, these findings demonstrate clear structural changes in the medial temporal lobe in BPD, showing similarity to the biological effects of early life stress. Copyright © 2010 John Wiley & Sons, Ltd.
Does social problem solving mediate the relationship between personality traits and personality disorders? An exploratory study with a sample of male prisoners
Authors: McMurran Mary , Oaksford Mike , Christopher Gary 
Published: June 2010

AbstractBackground Social problem solving therapy is one helpful approach to treating people with personality disorders (PD). Consequently, it is worthwhile to develop a greater understanding of the role of social problem solving in PD. One hypothesis is that social problem solving mediates the relationship between personality dimensions and personality disorder. This premise was explored in a sample of male prisoners, a population known to have a high prevalence of PD.Method Sixty‐eight men completed the International Personality Disorder Examination (IPDE), NEO‐Five Factor Inventory (NEO‐FFI) and the Social Problem‐Solving Inventory—Revised: Short Version (SPSI‐R:S). The data were explored for direct and indirect mediational effects of social problem solving variables in the personality dimension—PD relationship, using methods appropriate for small samples and multiple mediators.Results A number of relationships between personality dimensions, social problem solving, and personality disorder traits were identified, but only for paranoid, schizotypal, borderline, narcissistic, and avoidant PDs.Discussion These findings support the hypothesis that social problem solving mediates between personality dimensions and some PDs. Further research is necessary to verify these relationships. However, these findings begin to clarify the mechanisms by which personality dimensions relate to PDs. This knowledge has potential to contribute to the development of more effective interventions for people with particular personality dimensions and specific personality disorders. Copyright © 2010 John Wiley & Sons, Ltd.
Differential expression of skeletal muscle proteins in high‐fat diet‐fed rats in response to capsaicin feeding
Authors: Kim Dong Hyun , Joo Jeong In , Choi Jung‐Won , Yun Jong Won 
Published: June 2010

AbstractIn this study, the effects of capsaicin on expression of skeletal muscle proteins in Sprague–Dawley rats fed with a high‐fat diet (HFD) were investigated. Rats were fed a HFD with or without capsaicin treatment for 8 wk. After HFD feeding, capsaicin‐treated rats weighed an average of 8% less than those of the HFD control group. Gastrocnemius muscle tissue from lean and obese rats with or without capsaicin treatment was arrayed using 2‐DE for detection of HFD‐associated markers. Proteomic analysis using 2‐DE demonstrated that 36 spots from a total of approximately 600 matched spots showed significantly different expression; 27 spots were identified as gastrocnemius muscle proteins that had been altered in response to capsaicin feeding, and 6 spots could not be identified by mass fingerprinting. Expression of various muscle proteins was determined by immunoblot analysis for the determination of molecular mechanisms, whereby capsaicin caused inhibition of adipogenesis. Immunoblot analysis revealed increased uncoupling protein 3 (UCP3) protein expression in HFD‐fed rats, whereas contents were reduced with capsaicin treatment. Compared with the HFD control group, capsaicin treatment increased phosphorylation of AMP‐activated protein kinase (AMPIC) CP3 and acetyl‐CoA carboxylase (ACC). To support this result, we also analyzed in vitro differential protein expression in L6 skeletal muscle cells. These data suggest that the AMPK‐ACC‐malonyl‐CoA metabolic signaling pathway is one of the targets of capsaicin action. To the best of our knowledge, this is the first proteomic study to report on analysis of diet‐induced alterations of protein expression that are essential for energy expenditure in rat muscle.
Peptidomic profiling of human cerebrospinal fluid identifies YPRPIHPA as a novel substrate for prolylcarboxypeptidase
Authors: Zhao Xuemei , Southwick Katie , Cardasis Helene L. , Du Yi , Lassman Michael E. , Xie Dan , El‐Sherbeini Mohamed , Geissler Wayne M. , Pryor KellyAnn D. , Verras Andreas , Garcia‐Calvo Margarita , Shen Dong‐Ming , Yates Nathan A. , Pinto Shirly , Hendrickon Ronald C. 
Published: June 2010

AbstractProlylcarboxypeptidase (PRCP) is a serine protease that catalyzes the cleavage of C‐terminal amino acids linked to proline in peptides. It is ubiquitously expressed and is involved in regulating blood pressure, proliferation, inflammation, angiogenesis, and weight maintenance. To identify the candidate proximal target engagement markers for PRCP inhibition in the central nervous system, we profiled the peptidome of human cerebrospinal fluid to look for PRCP substrates using a MS‐based in vitro substrate profiling assay. These experiments identified a single peptide, with the sequence YPRPIHPA, as a novel substrate for PRCP in human cerebrospinal fluid. The peptide YPRPIHPA is from the extracellular portion of human endothelin B receptor‐like protein 2.
The β‐δ‐Phase Transition and Thermal Expansion of Octahydro‐1,3,5,7‐Tetranitro‐1,3,5,7‐Tetrazocine
Authors: Xue Chao , Sun Jie , Kang Bin , Liu Yu , Liu Xiaofeng , Song Gongbao , Xue Qibin 
Published: June 2010

AbstractPhase behavior of octahydro‐1,3,5,7‐tetranitro‐1,3,5,7‐tetrazocine (HMX) is investigated by X‐ray powder diffraction (XRD). The XRD patterns at elevated temperature show that there is a co‐existing temperature range of β‐ and δ‐phase during the phase transition process. Additionally, mechanical forces can catalyze the conversion from δ‐ back to β‐phase. Based on the diffraction patterns of β‐ and δ‐phase at different temperatures, we calculate the coefficients of thermal expansion by Rietveld refinement. For β‐HMX, the linear coefficients of thermal expansion of a‐axis and b‐axis are about 1.37×10−5 and 1.25×10−4 °C−1. A slight decrease in c‐axis with temperature is also observed, and the value is about −0.63×10−5 °C−1. The volume coefficient of thermal expansion is about 1.60×10−4 °C−1, with a 2.2% change from 30 to 170 °C. For δ‐HMX, the linear coefficients of thermal expansion of a‐axis and c‐axis are found to be 5.39×10−5 and 2.38×10−5 °C−1, respectively. The volume coefficient of thermal expansion is about 1.33×10−4 °C−1, with a 2.6% change from 30 to 230 °C. The results indicate that β‐HMX has a similar volume coefficient of thermal expansion compared with δ‐HMX, and there is about 10.5% expansion from β‐HMX at 30 °C to δ‐HMX at 230 °C, of which about 7% may be attributed to the reconstructive transition.
Influence of Particle Size and Mixing Technology on Combustion of HMX/Al Compositions
Authors: Muravyev Nikita , Frolov Yurii , Pivkina Alla , Monogarov Konstantin , Ordzhonikidze Olga , Bushmarinov Ivan , Korlyukov Alexander 
Published: June 2010

AbstractIn this work, two widely used components of high‐energy condensed systems – HMX and aluminium – were studied. Morphology, thermal behaviour, chemical purity and combustion parameters of HMX as a monopropellant and Al/HMX as a binary system were investigated using particles of different sizes. It was shown that in spite of the differences in composition and particle size, combustion velocities are almost identical for micrometer‐sized HMX (m‐HMX) and ultrafine HMX (u‐HMX) monopropellants under pressure from 2 to 10 MPa. Replacement of the micrometer‐sized aluminium with ultrafine one in the system with m‐HMX leads to a burning rate increase by a factor of 2.5 and the combustion completeness raise by a factor of 4. Two mixing techniques to prepare binary Al/HMX compositions were applied: conventional and ‘wet’ technique with ultrasonic processing in liquid. Applying wet mixing results in a burning rate increase of 18% compared to the conventional mixing for systems with ultrafine metal. The influence of the component's particle size and the composition microstructure on the burning rate of energetic systems is discussed and analysed.
Low‐temperature fabrication of flexible TiO2 electrode for dye‐sensitized solar cells
Authors: Zeng Qinghui , Yu Yuan , Wu Liangzhuan , Qi Bin , Zhi Jinfang 
Published: May 2010

AbstractA novel method for preparing flexible porous titania electrode from commercial TiO2 particles at low temperature for dye‐sensitized solar cells (DSSCs) was introduced. In this method, hydroxypropyl methyl cellulose (HPMC) as an additive was added to form a good‐quality TiO2/HPMC film on indium‐tin‐oxide‐coated polyethylene naphthalate flexible substrate (PEN/ITO). The additive was subsequently decomposed via the TiO2 photocatalytic degradation process under 365 nm UV‐light illumination at room temperature to form flexible multiporous TiO2 electrode film. Electrochemistry impedance spectroscopy (EIS) analysis indicated that the resistance of TiO2 film markedly decreased, and photocurrent–voltage curves showed that the photocurrent dramatically increased when the additive (HPMC) was removed from the flexible titania electrode film. The photocurrent conversion efficiency was estimated at 3.25% under 100 mW/cm2 illuminations using this flexible film as the DSSC photoanode. magnified image
Photocurrent versus voltages of the as‐prepared flexible DSSCs under AM 1.5 at 100 mW/cm2 illumination: photoanode made from HPMC‐free TiO2 paste (□) and photoanodes made from HPMC/TiO2 paste with UV‐light illumination from 0 to 10 h.