bluuebunny/crossref_metadata_2025_split huggingface dataset:
Ungulate preference for burned patches reveals strength of fire–grazing interaction
Authors: Allred Brady W. , Fuhlendorf Samuel D. , Engle David M. , Elmore R. Dwayne 
Published: August 2011

AbstractThe interactions between fire and grazing are widespread throughout fire‐dependent landscapes. The utilization of burned areas by grazing animals establishes the fire–grazing interaction, but the preference for recently burned areas relative to other influences (water, topography, etc.) is unknown. In this study, we determine the strength of the fire–grazing interaction by quantifying the influence of fire on ungulate site selection. We compare the preference for recently burned patches relative to the influence of other environmental factors that contribute to site selection; compare that preference between native and introduced ungulates; test relationships between area burned and herbivore preference; and determine forage quality and quantity as mechanisms of site selection. We used two large ungulate species at two grassland locations within the southern Great Plains, USA. At each location, spatially distinct patches were burned within larger areas through time, allowing animals to select among burned and unburned areas. Using fine scale ungulate location data, we estimated resource selection functions to examine environmental factors in site selection. Ungulates preferred recently burned areas and avoided areas with greater time since fire, regardless of the size of landscape, herbivore species, or proportion of area burned. Forage quality was inversely related to time since fire, while forage quantity was positively related. We show that fire is an important component of large ungulate behavior with a strong influence on site selection that drives the fire–grazing interaction. This interaction is an ecosystem process that supersedes fire and grazing as separate factors, shaping grassland landscapes. Inclusion of the fire–grazing interaction into ecological studies and conservation practices of fire‐prone systems will aid in better understanding and managing these systems.
Formation and Reactivity of a Biomimetic Hydroperoxocopper(II) Cryptate
Authors: Chaloner Laura , Askari Mohammad S. , Kutteh Adrian , Schindler Siegfried , Ottenwaelder Xavier 
Published: August 2011

AbstractCopper(II)‐hydroperoxo species are proposed as key intermediates in the catalytic cycles of copper‐monooxygenase enzymes that perform C–H bond hydroxylation. Herein we report on the oxidation chemistry of a copper(II) complex with a coordinating cryptand based on a peralkylated tetradentate tris(2‐aminoethyl)amine (tren) moiety. X‐ray crystallography of the copper(II) acetate complex of this cryptand revealed that the copper(II) ion is in a square‐pyramidal environment, with the cryptand acting only as a tridentate ligand. This geometry is conserved in solution and likely results from restraints imposed by the semi‐rigid cryptand. Reaction of this complex with basic hydrogen peroxide in methanol led to the decomposition of the complex with an oxygen‐atom transfer to the ligand, as evidenced by mass spectrometry analysis after reaction and demetallation. Low‐temperature stopped‐flow experiments (down to –90 °C) support the formation of a copper(II)‐hydroperoxo intermediate, CuOOH, before ligand oxygenation occurs. It is proposed that this intermediate performs the oxygen‐atom transfer to a weak benzylic C–H bond of the cryptand, thereby mimicking the behavior of dopamine‐β‐hydroxylase.
Chiral Diamine Bis(phenolate) TiIV and ZrIV Complexes – Synthesis, Structures and Reactivity
Authors: Barroso Sónia , Adão Pedro , Duarte M. Teresa , Meetsma Auke , Pessoa João Costa , Bouwkamp Marco W. , Martins Ana M. 
Published: August 2011

AbstractNeutral and cationic titanium and zirconium diamine bis(phenolate) complexes supported by chiral ligands L1 and L2 are described [L1 = (R)‐6,6′‐{1‐(dimethylamino)propan‐2‐ylazanediyl}bis(methylene)‐bis(2,4‐di‐tert‐butylphenolate);L2 = (S)‐6,6′‐{(1‐ethylpyrrolidin‐2‐yl)methylazanediyl}bis(methylene)‐bis(2,4‐di‐tert‐butylphenolate)]. Complexes[TiL(OiPr)2] [L = L1 (1), L2 (2)], [TiL2X(OiPr)] [X = Cl (3), CH2Ph (4)], [TiL1(CH2Ph)2] (5), [ZrLCl2] [L = L1 (6), L2 (7)] and [ZrL(CH2Ph)2] [L = L1 (8), L2 (9)] are C1‐symmetric species readily prepared in moderate to high yields. Cationic compounds were obtained from complexes 5, 8 and 9 through reactions with B(C6F5)3. The monocationic species reveal the η2‐binding character of the benzyl groups and noncoordinated [B(C6F5)3(CH2Ph)]–. Complexes 5–9 were tested in the polymerization of ethylene and propylene upon activation with modified methylaluminoxane (MMAO), B(C6F5)3 or [NHMe2Ph]+ as cocatalysts. The [ZrL1Cl2]/MMAO and [ZrL1(CH2Ph)2]/B(C6F5)3 systems revealed high activities in the polymerization of propylene (2.1 × 103 and 1.5 × 103 gpol mmolcat–1 h–1, respectively), leading to atatic polypropylene, whereas the titanium complexes showed no activity.
Substituent‐Controlled Electrocyclization of 2,4‐Dienones: Synthesis of 2,3,6‐Trisubstituted 2H‐Pyran‐5‐carboxylates and Their Transformations
Authors: Peng Wei , Hirabaru Toshiaki , Kawafuchi Hiroyuki , Inokuchi Tsutomu 
Published: August 2011

AbstractA facile access to 2,3,6‐trisubstituted 2H‐pyran‐5‐carboxylates is developed by employing 2‐alkyl‐2‐enals as reactants with acetoacetates. The reaction involves Knoevenagel condensation followed by a 6π‐electrocyclization, in which the presence of the C2 alkyl substituent in the enals favors the formation of (E)‐Knoevenagel adducts for the ensuing electrocyclization. The resulting 2H‐pyrans are hydrogenated to form 3,4‐dihydro‐2H‐pyrans and converted into the endoperoxides by singlet‐oxygen cycloaddition.
Three‐dimensional vortex simulation of unsteady flow in hydraulic turbines
Authors: Zhu Baoshan , Wang Hong , Wang Longbu , Cao Shuliang 
Published: August 2011

SUMMARYOn the basis of the Helmholtz decomposition, a grid‐free numerical scheme is provided for the solution of unsteady flow in hydraulic turbines. The Lagrangian vortex method is utilized to evaluate the convection and stretch of the vorticity, and the BEM is used to solve the Neumann problem to define the potential flow. The no‐slip boundary condition is satisfied by generating vortex sticks at the solid surface. A semi‐analytical regularization technique is applied to evaluate the singular boundary surface integrals of the potential velocity and its gradients accurately. The fast multipole method was extended to evaluate the velocity and velocity gradients induced by the discretized vortex blobs in the Lagrangian vortex method. The successful simulation for the unsteady flow through a hydraulic turbine's runner has manifested the effectiveness of the proposed method. Copyright © 2011 John Wiley & Sons, Ltd.
Semi‐automatic porting of a large‐scale CFD code to multi‐graphics processing unit clusters
Authors: Corrigan Andrew , Löhner Rainald 
Published: August 2011

SUMMARYA typical large‐scale CFD code based on adaptive, edge‐based finite‐element formulations for the solution of compressible and incompressible flow is taken as a test bed to port such codes to graphics hardware (graphics processing units, GPUs) using semi‐automatic techniques. In previous work, a GPU version of this code was presented, in which, for many run configurations, all mesh‐sized loops required throughout time stepping were ported. This approach simultaneously achieves the fine‐grained parallelism required to fully exploit the capabilities of many‐core GPUs, completely avoids the crippling bottleneck of GPU–CPU data transfer, and uses a transposed memory layout to meet the distinct memory access requirements posed by GPUs. The present work describes the next step of this porting effort, namely to integrate GPU‐based, fine‐grained parallelism with Message‐Passing‐Interface‐based, coarse‐grained parallelism, in order to achieve a code capable of running on multi‐GPU clusters. This is carried out in a semi‐automated fashion: the existing Fortran–Message Passing Interface code is preserved, with the translator inserting data transfer calls as required. Performance benchmarks indicate up to a factor of 2 performance advantage of the NVIDIA Tesla M2050 GPU (Santa Clara, CA, USA) over the six‐core Intel Xeon X5670 CPU (Santa Clara, CA, USA), for certain run configurations. In addition, good scalability is observed when running across multiple GPUs. The approach should be of general interest, as how best to run on GPUs is being presently considered for many so‐called legacy codes. Copyright © 2011 John Wiley & Sons, Ltd.
Dynamics of snow ablation in a small Alpine catchment observed by repeated terrestrial laser scans
Authors: Egli Luca , Jonas Tobias , Grünewald Thomas , Schirmer Michael , Burlando Paolo 
Published: August 2011

AbstractThe spatio‐temporal distribution of snow in a catchment during ablation reflects changes in the total amount of snow water equivalent and is thus a key parameter for the estimation of melt water run‐off. This study explores possible rules behind the spatial variability of snow depth during the ablation season in a small Alpine catchment with complex topography. The snow depth observations are based on more than 160 000 terrestrial laser scanner data points with a spatial resolution of 1 m, which were obtained from 11 scanning campaigns of two consecutive ablation seasons.The analysis suggests that for estimating cumulative snow melt dynamics from the catchment investigated, assessing the initial snow distribution prior to the melt season is more important than addressing spatial differences in the melt behaviour. Snow volume and snow‐covered area could be predicted well using a conceptual melt model assuming spatially uniform melt rates. However, accurate results were only obtained if the model was initialized with a pre‐melt snow distribution that reflected measured mean and standard deviation. Using stratified melt rates on the other hand did not improve the model results. At least for sites with similar meteorological and topographical conditions, the model approach presented here comprises an efficient way to estimate snow depletion dynamics, especially if persistent snow accumulation pattern between years facilitate the characterization of the initial snow distribution prior to the melt. Copyright © 2011 John Wiley & Sons, Ltd.
LigDockCSA: Protein–ligand docking using conformational space annealing
Authors: Shin Woong‐Hee , Heo Lim , Lee Juyong , Ko Junsu , Seok Chaok , Lee Jooyoung 
Published: August 2011

AbstractProtein–ligand docking techniques are one of the essential tools for structure‐based drug design. Two major components of a successful docking program are an efficient search method and an accurate scoring function. In this work, a new docking method called LigDockCSA is developed by using a powerful global optimization technique, conformational space annealing (CSA), and a scoring function that combines the AutoDock energy and the piecewise linear potential (PLP) torsion energy. It is shown that the CSA search method can find lower energy binding poses than the Lamarckian genetic algorithm of AutoDock. However, lower‐energy solutions CSA produced with the AutoDock energy were often less native‐like. The loophole in the AutoDock energy was fixed by adding a torsional energy term, and the CSA search on the refined energy function is shown to improve the docking performance. The performance of LigDockCSA was tested on the Astex diverse set which consists of 85 protein–ligand complexes. LigDockCSA finds the best scoring poses within 2 Å root‐mean‐square deviation (RMSD) from the native structures for 84.7% of the test cases, compared to 81.7% for AutoDock and 80.5% for GOLD. The results improve further to 89.4% by incorporating the conformational entropy. © 2011 Wiley Periodicals, Inc. J Comput Chem, 2011
QSPR study of Setschenow constants of organic compounds using MLR, ANN, and SVM analyses
Authors: Xu Jie , Wang Lei , Wang Luoxin , Shen Xiaolin , Xu Weilin 
Published: August 2011

AbstractA quantitative structure‐property relationship (QSPR) study was performed for the prediction of the Setschenow constants (Ksalt) by sodium chloride of organic compounds. The entire set of 101 compounds was randomly divided into a training set of 71 compounds and a test set of 30 compounds. Multiple linear regression, artificial neural network (ANN), and support vector machine (SVM) were utilized to build the linear and nonlinear QSPR models, respectively. The obtained models with four descriptors involved show good predictive ability. The linear model fits the training set with R2 = 0.8680, while ANN and SVM higher values of R2 = 0.8898 and 0.9302, respectively. The validation results through the test set indicate that the proposed models are robust and satisfactory. The QSPR study suggests that the molecular lipophilicity is closely related to the Setschenow constants. © 2011 Wiley Periodicals, Inc. J Comput Chem, 2011
INEQUALITY IN THE MONETARY AND FUNCTIONINGS SPACES: THE CASE OF PERU UNDER THE FIRST GARCIA GOVERNMENT (1985–1990)
Authors: Burchi Francesco , Passacantilli Andrea 
Published: August 2011

AbstractIn this article, we analyze inequality changes in Peru under the first Garcia government (1985–1990). Our findings indicate that stability in consumption inequality and a substantial decline in wealth inequality were achieved, probably thanks to the government's demand‐led policies, despite their deleterious effects on other macroeconomic indicators. The following analysis reveals that inequality in most functionings, including overall well‐being, diminished, as did geographical disparities. We thus offer here (i) a methodological contribution to the debate on inequality, stressing the need to go beyond consumption/income inequality if one wants to track inequality changes across time, and (ii) a contribution to the debate about the socioeconomic situation in Peru between 1985 and 1990. Copyright © 2011 John Wiley & Sons, Ltd.
Characterizing variability in in vivo Raman spectroscopic properties of different anatomical sites of normal tissue in the oral cavity
Authors: Bergholt Mads Sylvest , Zheng Wei , Huang Zhiwei 
Published: August 2011

AbstractRaman spectroscopy is an inelastic light scattering technique that is capable of probing biochemical and biomolecular structures and conformations of tissue. This study aims to characterize the in vivo Raman spectroscopic properties of different normal oral tissues in the fingerprint region (800–1800 cm−1) and to assess distinctive biochemical variations of different anatomical regions in the oral cavity. A specially designed fiber‐optic Raman probe with a ball lens was utilized for real‐time, in vivo Raman measurements of various oral tissue sites (i.e. inner lip, attached gingiva, floor, dorsal tongue, ventral tongue, hard palate, soft palate, and buccal). The semiquantitative non‐negativity‐constrained least squares minimization fitting of reference biochemicals representing oral tissue constituents (i.e. hydroxyapatite, keratin, collagen, DNA, and oleic acid) and partial least squares‐discriminant analysis (PLS‐DA) were employed to assess the significance of inter‐anatomical variability. A total of 402 high‐quality in vivo oral Raman spectra were acquired from 20 subjects. The histological characteristics of different oral tissues were found to have influence on the in vivo Raman spectra and could be grossly divided into three major clusterings: (1) buccal, inner lip, and soft palate; (2) dorsal, ventral tongue, and floor; (3) gingiva and hard palate. The PLS‐DA multiclass algorithms were able to identify different tissue sites with varying accuracies (inner lip 83.1%, attached gingiva 91.3%, floor 86.1%, dorsal tongue 88.8%, ventral tongue 83.1%, hard palate 87.6%, soft palate 83.3%, and buccal mucosa 85.3%), bringing out the similarities among different oral tissues at the biomolecular level. This study discloses that inter‐anatomical variability is significant and should be considered as an important parameter in the interpretation and rendering of Raman diagnostic algorithms for oral tissue diagnosis and characterization. Copyright © 2011 John Wiley & Sons, Ltd.
Effect of high‐energy light‐ion irradiation on SI‐GaAs and GaAs:Cr as observed by Raman spectroscopy
Authors: Mishra Shramana , Kabiraj D. , Roy Anushree , Ghosh Subhasis 
Published: August 2011

AbstractThe structural evolutions of high‐energy (50 MeV) lithium ion (Li3+) irradiated undoped semi‐insulating GaAs (SI‐GaAs) and chromium‐doped SI‐GaAs (GaAs:Cr) were investigated by Raman measurements. It is shown that high‐energy Li3+ irradiation causes amorphization beyond a fluence of 3 × 1013 ions/cm2 in undoped SI‐GaAs. Interestingly, the same fluence of ions does not seem to affect the crystallinity in GaAs:Cr appreciably. The effect of ion irradiation on the change in lattice ordering and anharmonicity of the phonon modes of undoped SI‐GaAs and GaAs:Cr is also compared. Copyright © 2011 John Wiley & Sons, Ltd.
Environmental conditions affect semolina quality in durum wheat (Triticum turgidum ssp. durum L.) cultivars with different gluten strength and gluten protein composition
Authors: Fois Simonetta , Schlichting Linda , Marchylo Brian , Dexter James , Motzo Rosella , Giunta Francesco 
Published: August 2011

AbstractBACKGROUND: Sowing time may impact semolina and pasta cooking quality by changing the environmental conditions during grain filling. The effect of an optimum and a delayed sowing time on semolina quality was studied by comparing six cultivars under irrigation, in order to isolate temperature from drought effects.RESULTS: Protein content was higher in the old cultivars and in the late sowings, according to the number of days with temperature between 30 and 40 °C during ripening. Gluten index increased as temperature rose to a threshold of about 30 °C, then decreased under higher temperatures. Mixograph parameters were less sensitive to high temperatures. Gliadin:glutenin correlated with gluten strength. Spaghetti firmness and protein content were positively correlated independently of sowing date. Cultivars Trinakria and Cappelli had the highest spaghetti firmness (900 and 828 g).CONCLUSIONS: Late sowings may represent a way of increasing pasta cooking quality whenever they place grain filling under thermal conditions able to increase protein percentage, although the accompanying decrease in yield may represent a drawback in environments prone to drought stress during ripening. The lower protein percentages of modern durum wheat cultivars under conventional sowing times results in a lower pasta cooking quality despite higher gluten strength. Published 2011 by John Wiley & Sons, Ltd.
Antioxidant activities and functional properties of grass carp (Ctenopharyngodon idellus) protein hydrolysates
Authors: Li Xue , Luo Yongkang , Shen Huixing , You Juan 
Published: August 2011

AbstractBACKGROUND: Grass carp, with an annual production exceeding 4 × 106 t in China in 2009, has not been developed into a high‐value product. In this study the antioxidant activities and functional properties of grass carp protein hydrolysates prepared with Alcalase 2.4L (HA) and papain (HP) were investigated. The hydrolysate with strongest radical‐scavenging activity and reducing power was assessed further for changes in its antioxidant activity during simulated gastrointestinal digestion.RESULTS: As the degree of hydrolysis (DH) increased, the metal‐chelating activity of both HA and HP increased while their reducing power and 1,1‐diphenyl‐2‐picrylhydrazyl radical (DPPH•)‐scavenging activity decreased (P < 0.05). At the same DH, HP possessed higher DPPH•‐scavenging activity and reducing power than HA (P < 0.05). The metal‐chelating activity of HP with 10% DH was significantly increased after in vitro gastrointestinal metabolism (P < 0.05). Regarding their functional properties, all hydrolysates were more than 81% soluble over a wide range of pH (3–8). At the same DH, HP showed higher emulsion activity index but lower solubility and foaming capacity than HA.CONCLUSION: Grass carp protein hydrolysates showed high solubility over a wide pH range and could be used as natural antioxidants in food systems. Copyright © 2011 Society of Chemical Industry
The prognostic significance of tumor laterality in patients with esophageal squamous cell carcinoma
Authors: Mine Shinji , Yamada Kazuhiko , Grabsch Heike , Sano Takeshi , Ishiyama Akiyoshi , Hirasawa Toshiaki , Yamamoto Noriko , Hiki Naoki , Yamaguchi Toshiharu 
Published: August 2011

AbstractBackgroundIt has been shown that part of the lymph fluid from the right/dorsal side of the esophagus drains directly into the thoracic duct, whereas the lymph fluid from the left/ventral side has to pass through lymph nodes before entering the duct. We hypothesized that patients with right/dorsal tumors have a poorer prognosis than those with left/ventral tumors because cancer cells from the right/dorsal quadrant may easily enter the systemic circulation.MethodsA total of 77 patients with pT1b‐ or pT2‐staged cancers treated by esophagectomy without neoadjuvant treatment were enrolled in this study. Tumor laterality was determined endoscopically.ResultsThe tumor location was right/dorsal in 45 patients and left/ventral in 32. The right/dorsal group had a lower lymph node stage (pN, P = 0.043) and shorter disease‐free survival (P = 0.027). Multivariate analysis demonstrated that tumor laterality [hazard ratio (HR): 0.052, 95% confidence interval (CI): 0.007–0.37, P = 0.003], pN (HR: 3.8, 95% CI: 1.7–9.1, P = 0.001), and tumor size (HR: 1.02, 95% CI: 1–1.04, P = 0.02) were independent prognostic factors.ConclusionsThis is the first study to demonstrate a relationship between tumor laterality and prognosis in patients with esophageal squamous cell carcinoma. These findings need to be validated in a prospective large study. J. Surg. Oncol. 2012; 105:66–70. © 2011 Wiley Periodicals, Inc.
AKT1 polymorphisms and survival of early stage non‐small cell lung cancer
Authors: Kim Min Jung , Kang Hyo‐Gyoung , Lee Shin Yup , Jeon Hyo‐Sung , Lee Won‐Kee , Park Ji Young , Lee Eung Bae , Lee Jae Hee , Cha Sung‐Ick , Kim Dong Sun , Kim Chang‐Ho , Kam Sin , Jung Tae Hoon , Park Jae Yong 
Published: August 2011

AbstractBackground and Objectives:This study was conducted to investigate the impact of polymorphisms in the AKT1 gene on the survival of early stage non‐small cell lung cancer (NSCLC) patients.Methods:Three hundred and ten patients with surgically resected NSCLC were enrolled. The rs3803300, rs1130214, rs3730358, rs1130233, and rs2494732 single nucleotide polymorphisms (SNPs) in the AKT1 gene were investigated. The genotype and haplotype associations with overall survival (OS) and disease free survival (DFS) were analyzed.Results:The three SNPs (rs3803300, rs1130214, and rs2494732) were significantly associated with survival outcomes on multivariate analysis. When the three SNPs were combined, OS and DFS were decreased in a dose‐dependent manner as the number of bad genotypes increased (Ptrend = <1.0 × 10−4 and 0.001, respectively). Patients with 2 bad genotypes had a significantly worse OS and DFS compared with those with 0 bad genotypes (adjusted hazard ratio (HR) = 3.08, 95% confidence interval (CI) = 1.61–5.89, P = 0.001; and adjusted HR = 2.04, 95% CI = 1.22–3.43, P = 0.01).Conclusions:These results suggest that the AKT1 polymorphisms could be used as prognostic markers for the patients with early‐stage NSCLC. J. Surg. Oncol. 2012; 105:167–174. © 2011 Wiley Periodicals, Inc.