bluuebunny/crossref_metadata_2025_split huggingface dataset:
Selective Pharmacophore Models of Dopamine D1and D2Full Agonists Based on Extended Pharmacophore Features
Authors: Malo Marcus , Brive Lars , Luthman Kristina , Svensson Peder 
Published: January 2010

AbstractThis study is focused on the identification of structural features that determine the selectivity of dopamine receptor agonists toward D1and D2receptors. Selective pharmacophore models were developed for both receptors. The models were built by using projected pharmacophoric features that represent the main agonist interaction sites in the receptor (the Ser residues in TM5 and the Asp in TM3), a directional aromatic feature in the ligand, a feature with large positional tolerance representing the positively charged nitrogen in the ligand, and sets of excluded volumes reflecting the shapes of the receptors. The sets of D1and D2ligands used for modeling were carefully selected from published sources and consist of structurally diverse, conformationally rigid full agonists as active ligands together with structurally related inactives. The robustness of the models in discriminating actives from inactives was tested against four ensembles of conformations generated by using different established methods and different force fields. The reasons for the selectivity can be attributed to both geometrical differences in the arrangement of the features, e.g., different tilt angels of the π system, as well as shape differences covered by the different sets of excluded volumes. This work provides useful information for the design of new D1and D2agonists and also for comparative homology modeling of D1and D2receptors. The approach is general and could therefore be applied to other ligand–protein interactions for which no experimental protein structure is available.
Evaluation of a plug‐in hybrid electric vehicle considering power generation best mix
Authors: Shinoda Yukio , Tanaka Hideo , Akisawa Atsushi , Kashiwagi Takao 
Published: January 2010

AbstractIn the transport section, it is necessary to reduce the amount of CO2 emissions and oil dependence. Bio fuels and fuel cell vehicle (FCV), electric vehicle (EV) and plug‐in hybrid electric vehicle (PHEV) are expected to reduce CO2 emissions and oil dependence. We focus on PHEV. PHEV can reduce total energy consumption because of its high efficiency and can run with both oil and electricity. Introduction of PHEV reduces oil consumption, but it also increases electricity demands. Therefore, we must evaluate PHEV's CO2 reduction potential, not only in the transport section but also in the power grid section. To take into account the distribution of the daily travel distance is also very important. All energy charged in the PHEV's battery cannot always be used. That influences the evaluation.We formulate the total model that combines passenger car model and power utility grid model, and we also consider the distribution of the daily travel distance. With this model, we show the battery cost per kWh at which PHEV begins to be introduced and oil dependence in the passenger car section is to be reduced to 80%. We also show PHEV's CO2 reduction potentials and effects on the power supply system. © 2010 Wiley Periodicals, Inc. Electr Eng Jpn, 171(2): 12–22, 2010; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/eej.20920
Regioselective Grafting of Two –CH2P(X)Ph2 Units (X = O, Lone Pair) onto a Resorcin[4]arene‐Derived Cavitand
Authors: El Moll Hani , Sémeril David , Matt Dominique , Toupet Loïc 
Published: January 2010

AbstractThe first diphosphanes based on a resorcinarene‐derived cavitand were obtained in six steps starting from 5,11,17,23‐tetrabromo‐4(24),6(10),12(16),18(22)‐tetramethylenedioxy‐2,8,14,20‐tetrapentylresorcin[4]arene. The synthesis of these bulky ligands was based on the selective C‐2 functionalisation either of two proximal resorcinolic units or of two distal ones. The ligands, both of which were characterised by X‐ray diffraction, readily react with [RuCl2(p‐cymene)]2 to form the corresponding bimetallic complexes [RuCl2(p‐cymene)]2·L in which the cavitand shape remains unchanged with respect to that of the free phosphanes.
1,1′‐Diaryl‐Substituted Ferrocenes: Up to Three Hinges in Oligophenyleneethynylene‐Type Molecular Wires
Authors: Baumgardt Ingmar , Butenschön Holger 
Published: January 2010

AbstractMolecular wires of the oligophenyleneethynylene (OPE)‐type are potentially rigid entities. The idea of the work reported herein was to replace some, not all, of the phenylene moieties with ferrocene units, thereby introducing limited conformational flexibility with the ferrocene units acting as hinges as a consequence of the facile rotation around the Cp–Fe–Cp axis. In this context, the syntheses of a number of 1,1′‐diaryl‐disubstituted ferrocene building blocks are described. The new terminal diynes 22 and 24 were used to construct the first representatives of ferrocene‐based molecular wires with three ferrocene hinges. The study includes an X‐ray structure analysis of the thiophene‐based diyne 24 as well as cyclovoltammetric analyses of a number of the compounds prepared.
Hydrosilanes Are Not Always Reducing Agents for Carbonyl Compounds, II: Ruthenium‐Catalyzed Deprotection of tert‐Butyl Groups in Carbamates, Carbonates, Esters, and Ethers
Authors: Hanada Shiori , Yuasa Akihiro , Kuroiwa Hirotaka , Motoyama Yukihiro , Nagashima Hideo 
Published: January 2010

AbstractHydrosilanes act as a reagent to cleave the C–O bond of OtBu groups in carbamates, carbonates, esters, and ethers by catalysis of a triruthenium cluster. The reaction offers a novel deprotection method for OtBu groups under neutral conditions, showing unique selectivities that have never been accomplished with conventional Brønsted or Lewis acidic promoters. Possible mechanisms for C–O cleavage are discussed on the basis of NMR spectroscopic analysis.
Sediments and water fluxes in a muddy coastline: interplay between waves and tidal channel hydrodynamics
Authors: Fagherazzi S. , Priestas A. M. 
Published: January 2010

AbstractTidal channels are ubiquitous in muddy coastlines and play a critical role in the redistribution of sediments, thus dictating the general evolution of intertidal landforms. In muddy coastlines, the morphology of tidal channels and adjacent marshes strongly depends on the supply of fine sediments from the shelf and on the resuspension of sediments by wind waves. To investigate the processes that regulate sediment fluxes in muddy coastlines, we measured tidal velocity and sediment concentration in Little Constance Bayou, a tidal channel in the Rockefeller State Wildlife Refuge, Louisiana, USA. The tidal measurements were integrated with measurements of wave activity in the bay at the mouth of the channel, thus allowing the quantification of feedbacks between waves and sediment fluxes. Results indicate that the sediment concentration in the channel is directly related to the wave height in the adjacent bay during flood and high slack water, whereas the concentration during ebb depends on local channel velocity. Moreover, the sediment flux during ebb is of the same order of magnitude as the sediment flux during the previous flood, indicating that only a small fraction of transported sediments are stored in the marsh during a tidal cycle. Finally, very low tides, characterized by high ebb velocities, export large volumes of sediment to the ocean. Copyright © 2010 John Wiley & Sons, Ltd.
Slope development reconstruction at two sites in the Bohemian Forest Mountains
Authors: Hartvich Filip , Mentlík Pavel 
Published: January 2010

AbstractAlthough the Bohemian Forest is generally considered to be geomorphologically a rather stable region, there are localities which bear proof of a surprisingly high intensity of recent and even present day processes. A multidisciplinary methodology based on the analysis of slope systems was used for researching the present and past dynamics of two hillslopes. Using the results of direct dilatometric monitoring (the slow creep of rock blocks reached a maximum of 1 mm year−1), GPS field mapping, sedimentology, geodetic measurements and DEM analyses, several common rules have been observed for the behaviour of two model localities and a likely polycyclic development established, with recurrence of mass‐wasting cycles related to material supply thresholds. Radiometric dating of debris flow activity showed that the cycles span approximately 4000 years. In this area of rather stable bedrock conditions, at least two factors that decrease slope stability need to act together to activate slope processes: i.e. a favourable structural predisposition (dip of major joint or bedding planes) and an increase in relief through either glaciation or river incision. Copyright © 2010 John Wiley & Sons, Ltd.
The use of grain‐size distribution patterns to elucidate aeolian processes on a transverse dune of Thar Desert, India
Authors: Purkait Barendra 
Published: January 2010

AbstractThe grain‐size distribution of aeolian dune sands in the Thar Desert, India was analyzed and compared with three model distributions – log‐normal, log‐hyberbolic and log‐skew‐Laplace – to determine the best‐fit statistical model. In total, 51 samples were collected along a single transect over a transverse dune, of which 15 were from the stoss side, 12 from the crest and 24 from the lee side. Samples were collected during a calm period in the afternoon of a winter's day. It was observed that of these 51 samples, 33 fit best to a log‐hyperbolic distribution, 14 fit best to a normal distribution and only four fit best to a Laplace distribution. However, it was further observed that of 24 samples from the lee side, 13 fit best to a normal distribution, eight fit best to a hyperbolic distribution, and three fit best to a Laplace distribution. Of 12 samples from the crest of the dune, 11 fit best to the log‐hyperbolic distribution, only one to the Laplace distribution but none to a normal distribution. Of 15 samples from the stoss side of the dune, only one sample best‐fits a normal distribution, 14 fit best to a log‐hyperbolic distribution, and none best fit to a Laplace distribution.During sample collection a calm period prevailed and there was no dusty wind. It was therefore assumed that in the initial stage a mixture of coarse, medium and fine sands was laid down on the stoss side of the dune. As wind speeds increased and saltation started, the coarser fractions were segregated and lagged behind on the stoss slope. In the final stage when the remaining intermediate and finer fractions reached the dune crest, the finer fractions were winnowed away to suspension from the crest of the dune. As a result, a narrow range of intermediate sized sediments was deposited by rolling down the lee side to explain the development of log‐normality. In such a situation, both the coarser and finer fractions, to which the skewed distributions can be attributed, are separated from the initial mixture of coarse, intermediate and fine fractions. Hence the main criteria for the development of a normal distribution is the lack of skewed fractions and the concentration of the narrow, intermediate size fractions in the final grain size distribution. This is also corroborated with the index of symmetry, which is a measure of the difference between the angle of two slopes of the hyperbolic distribution as represented by the coarser and finer fractions. Copyright © 2010 John Wiley & Sons, Ltd.
Restoring earth surface processes through landform design. A 13‐year monitoring of a geomorphic reclamation model for quarries on slopes
Authors: Martín‐Duque J.F. , Sanz M.A. , Bodoque J.M. , Lucía A. , Martín‐Moreno C. 
Published: January 2010

AbstractThe application of geomorphic principles to land reclamation after surface mining has been reported in the literature since the mid‐1990s, mostly from Australia, Canada and the USA. This paper discusses the reclamation problems of contour mining and quarries on slopes, where steep gradients are prone to both mass movement and water erosion. To address these problems simultaneously, a geomorphic model for reclaiming surface mined slopes is described. Called the ‘highwall–trench–concave slope’ model, it was first applied in the 1995 reclamation of a quarry on a slope (La Revilla) in Central Spain.The geomorphic model does not reproduce the original topography, but has two very different sectors and objectives: (i) the highwall–trench sector allows the former quarry face to evolve naturally by erosion, accommodating fallen debris by means of a trench constructed at the toe of the highwall; (ii) the concave‐slope base sector, mimicking the landforms of the surrounding undisturbed landscape, promotes soil formation and the establishment of self‐sustaining, functional ecosystems in the area protected from sedimentation by the trench. The model improves upon simple topographic reconstruction, because it rebuilds the surficial geology architecture and facilitates re‐establishment of equilibrium slopes through the management and control of geomorphic processes.Thirteen years of monitoring of the geomorphic and edaphic evolution of La Revilla reclaimed quarry confirms that the area is functioning as intended: the highwall is backwasting and material is accumulating at the trench, permitting the recovery of soils and vegetation on the concave slope. However, the trench is filling faster than planned, which may lead to run‐off and sedimentation on the concave slope once the trench is full. The lesson learned for other scenarios is that the model works well in a two‐dimensional scheme, but requires a three‐dimensional drainage management, breaking the reclaimed area into several watersheds with stream channels. Copyright © 2010 John Wiley & Sons, Ltd.
Bridging the gap between field data and global models: current strategies in aeolian research
Authors: Bullard Joanna 
Published: January 2010

AbstractModern global models of earth‐atmosphere‐ocean processes are becoming increasingly sophisticated but still require validation against empirical data and observations. This commentary reports on international initiatives amongst aeolian researchers that seek to combine field‐based data sets and geomorphological frameworks for improving the quality of data available to constrain and validate global models. These include a second iteration of the Dust Indicators and Records from Terrestrial Marine Palaeoenvironments (DIRTMAP2) database, the Digital Atlas of Sand Seas and Dunefields of the World and a new geomorphology‐based land surface map produced by the QUEST (Quantifying Uncertainties in the Earth System) Working Group on Dust. Copyright © 2010 John Wiley & Sons, Ltd.
Cosmogenic nuclide‐derived rates of diffusive and episodic erosion in the glacially sculpted upper Rhone Valley, Swiss Alps
Authors: Norton Kevin P. , von Blanckenburg Friedhelm , Kubik Peter W. 
Published: January 2010

AbstractDenudation rates of small tributary valleys in the upper Rhone valley of the Swiss Central Alps vary by more than an order of magnitude within a very small distance (tens of kilometers). Morphometric data indicate two distinct erosion processes operate in these steep mountain valleys. We determined the rates of these processes using cosmogenic beryllium‐10 (10Be) in pooled soil and stream sediment samples. Denudation in deep, glacially scoured valleys is characterized by rapid, non‐uniform processes, such as debris flows and rock falls. In these steep valleys denudation rates are 760–2100 mm kyr−1. In those basins which show minimal previous glacial modification denudation rates are low with 60–560 mm kyr−1. The denudation rate in each basin represents a binary mixture between the rapid, non‐uniform processes, and soil creep. The soil production rate measured with cosmogenic 10Be in soil samples averages at 60 mm kyr−1. Mixing calculations suggest that the debris flows and rock falls are occurring at rates up to 3000–7000 mm kyr−1. These very high rates occur in the absence of baselevel lowering, since the tributaries drain into the Rhone trunk stream up‐stream of a knickzone. The flux‐weighted spatial average of denudation rates for the upper Rhone valley is 1400 mm kyr−1, which is similar to rock uplift rates determined in this area from leveling. The pace and location of erosion processes are determined by the oscillation between a glacial and a non‐glacial state, preventing the landscape from reaching equilibrium. Copyright © 2010 John Wiley & Sons, Ltd.
A stabilized formulation for the advection–diffusion equation using the Generalized Finite Element Method
Authors: Turner D. Z. , Nakshatrala K. B. , Hjelmstad K. D. 
Published: January 2010

AbstractThis paper presents a stable formulation for the advection–diffusion equation based on the Generalized (or eXtended) Finite Element Method, GFEM (or X‐FEM). Using enrichment functions that represent the exponential character of the exact solution, smooth numerical solutions are obtained for problems with steep gradients and high Péclet numbers in one‐ and two‐dimensions. In contrast with traditional stabilized methods that require the construction of stability parameters and stabilization terms, the present work avoids numerical instabilities by improving the classical Galerkin solution with enrichment functions (that need not be polynomials) using GFEM, which is an instance of the partition of unity framework.This work also presents a strategy for constructing enrichment functions for problems involving complex geometries by employing a global–local‐type approach. Representative numerical results are presented to illustrate the performance of the proposed method. Copyright © 2010 John Wiley & Sons, Ltd.
NPM1 is overexpressed in hyperdiploid multiple myeloma due to a gain of chromosome 5 but is not delocalized to the cytoplasm
Authors: Weinhold Niels , Moreaux Jerome , Raab Marc S. , Hose Dirk , Hielscher Thomas , Benner Axel , Meißner Tobias , Ehrbrecht Edith , Brough Michaela , Jauch Anna , Goldschmidt Hartmut , Klein Bernard , Moos Marion 
Published: January 2010

AbstractMultiple myeloma (MM) is proposed to consist of two main pathogenetic groups. Although hyperdiploid MM (HD) is characterized by multiple trisomies of odd chromosomes, in nonhyperdiploid MM (NHD), one of the recurrent primary immunoglobulin heavy chain (IGH) translocations and deletion of chromosome 13 can frequently be found. In this study, we analyzed gene‐expression profiles of patients with previously untreated MM. Fifty‐four genes were significantly differentially expressed between the two groups. NPM1 was upregulated in HD. The differential expression of 25 genes, including NPM1 and 13 ribosomal protein genes, was validated using a published gene expression data set. The overexpression of NPM1 in HD was further confirmed by quantitative real‐time PCR and Western blotting. NPM1 was significantly overexpressed in HD as the result of a gain of chromosome 5. Insertions into exon 12 of NPM1 were not detected. NPM1 was localized to the nucleoli of MM cells. Furthermore, HD was associated with an overexpression of ribosomal protein genes, independent of their localization on the trisomic or other chromosomes. Our results indicate that the gain of chromosome 5 might play an important role in the pathogenesis of HD. © 2010 Wiley‐Liss, Inc.
A catalog of genes homozygously deleted in human lung cancer and the candidacy of PTPRD as a tumor suppressor gene
Authors: Kohno Takashi , Otsuka Ayaka , Girard Luc , Sato Masanori , Iwakawa Reika , Ogiwara Hideaki , Sanchez‐Cespedes Montse , Minna John D. , Yokota Jun 
Published: January 2010

AbstractA total of 176 genes homozygously deleted in human lung cancer were identified by DNA array‐based whole genome scanning of 52 lung cancer cell lines and subsequent genomic PCR in 74 cell lines, including the 52 cell lines scanned. One or more exons of these genes were homozygously deleted in one (1%) to 20 (27%) cell lines. These genes included known tumor suppressor genes, e.g., CDKN2A/p16, RB1, and SMAD4, and candidate tumor suppressor genes whose hemizygous or homozygous deletions were reported in several types of human cancers, such as FHIT, KEAP1, and LRP1B/LRP‐DIP. CDKN2A/p16 and p14ARF located in 9p21 were most frequently deleted (20/74, 27%). The PTPRD gene was most frequently deleted (8/74, 11%) among genes mapping to regions other than 9p21. Somatic mutations, including a nonsense mutation, of the PTPRD gene were detected in 8/74 (11%) of cell lines and 4/95 (4%) of surgical specimens of lung cancer. Reduced PTPRD expression was observed in the majority (>80%) of cell lines and surgical specimens of lung cancer. Therefore, PTPRD is a candidate tumor suppressor gene in lung cancer. Microarray‐based expression profiling of 19 lung cancer cell lines also indicated that some of the 176 genes, such as KANK and ADAMTS1, are preferentially inactivated by epigenetic alterations. Genetic/epigenetic as well as functional studies of these 176 genes will increase our understanding of molecular mechanisms behind lung carcinogenesis. © 2010 Wiley‐Liss, Inc.
Temporal variations in Sr and 87Sr/86Sr of the Ganga headwaters: estimates of dissolved Sr flux to the mainstream
Authors: Tripathy Gyana Ranjan , Goswami Vineet , Singh Sunil Kumar , Chakrapani G. J. 
Published: January 2010

AbstractThe headwaters of the Ganga (the Alaknanda, Bhagirathi and the Ganga) were analysed for their dissolved major ions, Sr and 87Sr/86Sr on a biweekly to monthly basis over a period of one year to determine their temporal variations and the factors contributing to them. The concentrations of major ions and Sr show significant seasonal variation with lower values during monsoon period in all the three rivers. A similar trend is also observed for 87Sr/86Sr and Na*/Ca (Na* = NarClr) suggesting relatively lower contribution of Sr and Na from silicates (which are more radiogenic in Sr) during monsoon. Budget calculations show that silicate derived dissolved Sr (Srs) in the river Ganga, Alaknanda and the Bhagirathi varied from 10 ± 4 to 27 ± 11, 7 ± 3 to 30 ± 12, 16 ± 6 to 57 ± 23% of measured Sr respectively with lower values during monsoon. The relative decrease in silicate erosion compared to carbonate during monsoon can result from several factors, these include higher dissolution kinetics of the carbonates, lower water–rock interaction time and availability of larger area for weathering.The annual discharge weighted Sr flux derived from the time series data is higher by ∼20% from that based on peak flow Sr, and lower by ∼40% compared to that derived from lean flow Sr concentration. The area‐normalized annual flux of dissolved Sr from the Ganga at Rishikesh is about five times its flux at Rajshahi (Bangladesh) and a few other major global rivers, such as the Amazon, indicating higher erosion rate over the Himalaya. Copyright © 2010 John Wiley & Sons, Ltd.