bluuebunny/crossref_metadata_2025_split huggingface dataset:
Prestimulus hippocampal activity predicts later recollection
Authors: Park Heekyeong , Rugg Michael D. 
Published: June 2009

AbstractFunctional magnetic resonance imaging (fMRI) was used to address the question whether medial temporal lobe (MTL) activity prior to a stimulus event is predictive of whether the event will be successfully encoded in an incidental study task. Participants were scanned while making pleasantness judgments on words presented either in written or spoken form. A cue presented at a variable interval before the onset of each word signaled the modality of the upcoming item. Following the study phase, a surprise recognition memory test was administered that required items to be endorsed as “Remembered,” “Known,” or “New.” Activity in the MTL, including the hippocampus, differed during the cue‐item interval according to whether the item was later endorsed as Remembered rather than judged as Known or New. Thus, the level of hippocampal activity prior to the onset of an event predicts whether the event will be successfully encoded into episodic memory. © 2009 Wiley‐Liss, Inc.
Morphological and Chemical Changes Induced by Herbivory in Three Common Aquatic Macrophytes
Authors: Lemoine Damien G. , Barrat‐Segretain Marie‐Hélène , Roy Annie 
Published: June 2009

AbstractThe Dry Matter Content (DMC), the total phenolic content, the production of new branches and the plant fragmentation were compared in three macrophyte species (Elodea canadensis, Elodea nuttallii and Myriophyllum spicatum) exposed or not to snail herbivory. Grazing significantly reduced the DMC of M. spicatum and E. canadensis, but had no effect on the DMC of E. nuttallii. The phenolic contents of Elodea species were not modified by snail herbivory, whereas that of M. spicatum significantly increased when exposed to grazers. The number of new branches produced by M. spicatum and E. canadensis plants, and the fragmentation of E. canadensis also increased in response to herbivory.Chemical defences are therefore probably constitutive in Elodea and induced in M. spicatum, and morphological changes can be related to species growth form and synthesis of phenolic compounds. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Uncertainties in Data and Spurious Correlations Related to the Redfield Ratio
Authors: Håkanson Lars , Stenström‐Khalili Maria I. 
Published: June 2009

AbstractSpurious correlations is a fundamental problem in situations where the y‐variable is a function of x, such as ratios u/x versus x or u, or products, such as u × x versus x or u, or expressions such as (u–x) versus x. The theory of spurious correlations was developed more than 100 years ago and yet there are numerous papers in aquatic ecology presenting results as if they were mechanistically meaningful when they, in fact, are clearly spurious. This is specifically so in contexts related to some of the most important issues in aquatic ecology namely the question of “limiting” nutrient and the Redfield ratio, defined as either TN/TP or DIN/DIP (TN = total‐N, TP = total‐P, DIN = dissolved inorganic N, DIP dissolved inorganic P). We have demonstrated by systematic tests using randomly generated data that the patterns in spurious relationships can be identical to patterns in empirical data that have been interpretated in mechanistic terms. We have collected empirical data from the Baltic Sea, Kattegat and Skagerack and tested those data to see if spurious relationships exist. The r2 ‐values vary from 0.90 (TN/TP versus TP), 0.67 (DIN/DIP versus DIN), 0.40 (DIN/DIP versus DIP) to 0.014 (TN/TP versus TN). Very little mechanistic understanding about “limiting nutrient” and/or the role of TN/TP or DIN/DIP‐ratios can be deduced from these – and similar results – because they are spurious. We have also shown that the ratios TN/TP and DIN/DIP have significantly higher coefficients of variations (CV) than TN, TP, DIN and DIP individually. This explains why these ratios generally are poor predictors in contexts of nutrient limitation and in modeling of primary production. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Spatial Heterogeneity of Cyanobacteria and Diatoms in a Thermally Stratified Canyon‐Shaped Reservoir
Authors: Moreno‐Ostos Enrique , Cruz‐Pizarro Luis , Basanta Ana , George D. Glen 
Published: June 2009

AbstractPhytoplankton communities in lakes and reservoirs are seldom homogeneously distributed but usually aggregate in patches and gradients. In this study we have combined the use of in vivo spectrofluorometry and acoustic Doppler current profiling to investigate the effect of water movements on the spatial distribution of cyanobacteria and diatoms in a thermally stratified reservoir in SW Spain. The distinctive canyon‐shaped morphometry of the reservoir (El Gergal) favoured the development of a “conveyor belt” pattern of circulation aligned with the long axis of the reservoir. Under non‐regulated conditions, the spatial distribution of phytoplankton was almost entirely dependent on the interactions between advective transport and the buoyancy properties of the different functional groups of phytoplankton. The positively‐buoyant cyanobacteria accumulated near the surface and were then transported downwind by the surface drift currents. In contrast, the negatively‐buoyant diatoms sank in the water column and were transported upwind by the sub‐surface return currents. When deep water was abstracted from the reservoir, these distribution patterns were modified. The results are discussed in relation to the problem of acquiring representative water samples from the reservoir and the application of a simple empirical model to optimize the location of the station used for routine cyanobacteria sampling on the reservoir. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Zooplankton Community Structure and Inter‐Annual Dynamics in Two Sand‐Pit Lakes with Different Dredging Impact
Authors: Tavernini Silvia , Viaroli Pierluigi , Rossetti Giampaolo 
Published: June 2009

AbstractZooplankton seasonal and inter‐annual dynamics were investigated in two neighbouring sand‐pit lakes with similar morphological features but different exploitation regime. We hypothesized that the dredging activities affected the zooplankton communities and the hydrochemical conditions of the studied lakes. Significant differences in zooplankton abundance were found. The analysis of similarity (ANOSIM) revealed that plankton communities were different between lakes and that the microcrustaceans largely contributed to the average dissimilarity. In particular, the lower densities of cladocerans and the presence of large‐size species in the lake still under dredging during this study appeared to be related to the resuspension of sand in the water column. We report how the zooplankton communities evolved toward an higher taxonomical and functional diversity after conclusion of the dredging activities. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Effects of Light and Wind Speed on the Vertical Distribution of Microcystis aeruginosa Colonies of Different Sizes during a Summer Bloom
Authors: Wu Xiaodong , Kong Fanxiang 
Published: June 2009

AbstractDifferent dynamics, of the vertical distribution of Microcystis aeruginosa colonies of different sizes, were examined in a large shallow lake (Taihu Lake) during a summer bloom. During the observation the Microcystis colonies, larger than 120 μm, were mainly concentrated in the upper layer both under calm and windy conditions. Colonies from 36 μm to 120 μm showed a clear relationship to wind conditions whereas colonies less than 36 μm showed a nearly uniform vertical distribution at the different depths. There was no clear relationship between the vertical distribution of colonies larger than 36 μm and light intensity. However, at solar noon, colonies less than 36 μm were mainly distributed in the middle layers of the water column. The results indicate that small colonies are easily affected by the wind‐induced mixing, and they show an ability for active movement in response to light intensity under calm conditions. In contrast, large colonies tend to show little diurnal repositioning to light intensity and thereby are mainly concentrated in the surface layer. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Fragment molecular orbital study of the electronic excitations in the photosynthetic reaction center ofBlastochloris viridis
Authors: Ikegami Tsutomu , Ishida Toyokazu , Fedorov Dmitri G. , Kitaura Kazuo , Inadomi Yuichi , Umeda Hiroaki , Yokokawa Mitsuo , Sekiguchi Satoshi 
Published: June 2009

AbstractAll electron calculations were performed on the photosynthetic reaction center ofBlastochloris viridis, using the fragment molecular orbital (FMO) method. The protein complex of 20,581 atoms and 77,754 electrons was divided into 1398 fragments, and the two‐body expansion of FMO/6‐31G* was applied to calculate the ground state. The excited electronic states of the embedded electron transfer system were separately calculated by the configuration interaction singles approach with the multilayer FMO method. Despite the structural symmetry of the system, asymmetric excitation energies were observed, especially on the bacteriopheophytin molecules. The asymmetry was attributed to electrostatic interaction with the surrounding proteins, in which the cytoplasmic side plays a major role. © 2009 Wiley Periodicals, Inc. J Comput Chem 2010
MOLCAS 7: The Next Generation
Authors: Aquilante Francesco , De Vico Luca , Ferré Nicolas , Ghigo Giovanni , Malmqvist Per‐åke , Neogrády Pavel , Pedersen Thomas Bondo , Pitoňák Michal , Reiher Markus , Roos Björn O. , Serrano‐Andrés Luis , Urban Miroslav , Veryazov Valera , Lindh Roland 
Published: June 2009

AbstractSome of the new unique features of the MOLCAS quantum chemistry package version 7 are presented in this report. In particular, the Cholesky decomposition method applied to some quantum chemical methods is described. This approach is used both in the context of a straight forward approximation of the two‐electron integrals and in the generation of so‐called auxiliary basis sets. The article describes how the method is implemented for most known wave functions models: self‐consistent field, density functional theory, 2nd order perturbation theory, complete‐active space self‐consistent field multiconfigurational reference 2nd order perturbation theory, and coupled‐cluster methods. The report further elaborates on the implementation of a restricted‐active space self‐consistent field reference function in conjunction with 2nd order perturbation theory. The average atomic natural orbital basis for relativistic calculations, covering the whole periodic table, are described and associated unique properties are demonstrated. Furthermore, the use of the arbitrary order Douglas‐Kroll‐Hess transformation for one‐component relativistic calculations and its implementation are discussed. This section especially focuses on the implementation of the so‐called picture‐change‐free atomic orbital property integrals. Moreover, the ElectroStatic Potential Fitted scheme, a version of a quantum mechanics/molecular mechanics hybrid method implemented in MOLCAS, is described and discussed. Finally, the report discusses the use of the MOLCAS package for advanced studies of photo chemical phenomena and the usefulness of the algorithms for constrained geometry optimization in MOLCAS in association with such studies. © 2009 Wiley Periodicals, Inc. J Comput Chem 2010
Trends of the bonding effect on the performance of DFT methods in electric properties calculations: A pattern recognition and metric space approach on some XY2 (X = O, S and Y = H, O, F, S, Cl) molecules
Authors: Christodouleas Christos , Xenides Demetrios , Simos Theodore E. 
Published: June 2009

AbstractA test set of 10 molecules (open and ring forms of ozone and sulfur dioxide as well as water and hydrogen sulfide and their respective fluoro‐ and chloro‐substituted analogs) of specific atmospheric interest has been formed as to assess the performance of various density functional theory methods in (hyper)polarizability calculations against well‐established ab initio methods. The choice of these molecules was further based on (i) the profound change in the physics between isomeric systems, e.g., open (C2v) and ring (D3h) forms of ozone, (ii) the relation between isomeric forms, e.g., open and ring form of sulfur dioxide (both of C2v symmetry), and (iii) the effect of the substitution, e.g., in fluoro‐ and chloro‐substituted water analogs. The analysis is aided by arguments chosen from the information theory, graph theory, and pattern recognition fields of Mathematics: In brief, a multidimensional space is formed by the methods which are playing the role of vectors with the independent components of the electric properties to act as the coordinates of these vectors, hence the relation between different vectors (e.g., methods) can be quantified by a proximity measure. Results are in agreement with previous studies revealing the acceptable and consistent behavior of the mPW1PW91, B3P86, and PBE0 methods. It is worth noting the remarkable good performance of the double hybrid functionals (namely: B2PLYP and mPW2PLYP) which are for the first time used in calculations of electric response properties. © 2009 Wiley Periodicals, Inc. J Comput Chem 2010
High‐level ab initio calculations on HGeCl and the equilibrium geometry of the Ã1A″ state derived from Franck‐Condon analysis of the single‐vibronic‐level emission spectra of HGeCl and DGeCl
Authors: Mok Daniel K. W. , Chau Foo‐Tim , Lee Edmond P. F. , Dyke John M. 
Published: June 2009

AbstractCCSD(T) and/or CASSCF/MRCI calculations have been carried out on the X̃1A′ and Ã1A″ states of HGeCl. The fully relativistic effective core potential, ECP10MDF, and associated standard valence basis sets of up to the aug‐cc‐pV5Z quality were employed for Ge. Contributions from core correlation and extrapolation to the complete basis set limit were included in determining the computed equilibrium geometrical parameters and relative electronic energy of these two states of HGeCl. Based on the currently, most systematic CCSD(T) calculations performed in this study, the best theoretical geometrical parameters of the X̃1A′ state are re(HGe) = 1.580 ± 0.001 Å, θe = 93.88 ± 0.01° and re(GeCl) = 2.170 ± 0.001 Å. In addition, Franck‐Condon factors including allowance for anharmonicity and Duschinsky rotation between these two states of HGeCl and DGeCl were calculated employing CCSD(T) and CASSCF/MRCI potential energy functions, and were used to simulate Ã1A″ → X̃1A′ SVL emission spectra of HGeCl and DGeCl. The iterative Franck‐Condon analysis (IFCA) procedure was carried out to determine the equilibrium geometrical parameters of the Ã1A″ state of HGeCl by matching the simulated, and available experimental SVL emission spectra of HGeCl and DGeCl of Tackett et al., J Chem Phys 2006, 124, 124320, using the available, estimated experimental equilibrium (r) structure for the X̃1A′ state, while varying the equilibrium geometrical parameters of the Ã1A″ state systematically. Employing the derived IFCA geometry of re(HGe) = 1.590 Å, re(GeCl) = 2.155 Å and θe(HGeCl) = 112.7° for the Ã1A″ state of HGeCl in the spectral simulation, the simulated absorption and SVL emission spectra of HGeCl and DGeCl agree very well with the available experimental LIF and SVL emission spectra, respectively. © 2009 Wiley Periodicals, Inc. J Comput Chem, 2010
AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
Authors: Trott Oleg , Olson Arthur J. 
Published: June 2009

AbstractAutoDock Vina, a new program for molecular docking and virtual screening, is presented. AutoDock Vina achieves an approximately two orders of magnitude speed‐up compared with the molecular docking software previously developed in our lab (AutoDock 4), while also significantly improving the accuracy of the binding mode predictions, judging by our tests on the training set used in AutoDock 4 development. Further speed‐up is achieved from parallelism, by using multithreading on multicore machines. AutoDock Vina automatically calculates the grid maps and clusters the results in a way transparent to the user. © 2009 Wiley Periodicals, Inc. J Comput Chem 2010
Ion‐exchanged binuclear Ca2OX clusters, X = 1–4, as active sites of selective oxidation over MOR and FAU zeolites
Authors: Larin A. V. , Zhidomirov G. M. , Trubnikov D. N. , Vercauteren D. P. 
Published: June 2009

AbstractA new series of calcium oxide clusters Ca2OX (X = 1–4) at cationic positions of mordenite (MOR) and faujasite (FAU) is studied via the isolated cluster approach. Active oxide framework fragments are represented via 8‐membered window (8R) in MOR, and two 6R and 4R windows (6R+4R) possessing one common SiOSi moiety in FAU. Structural similarities between the Ca2OX(8R) and Ca2OX(6R+4R) moieties are considered up to X = 4. High oxidation possibilities of the Ca2O2(nR) and Ca2O3(nR) systems are demonstrated relative to CO, whose oxidation over the Ca‐exchanged zeolite forms is well studied experimentally. Relevance of the oxide cluster models with respect to trapping and desorption of singlet dioxygen is discussed. © 2009 Wiley Periodicals, Inc. J Comput Chem 2010
Disparities in sense of community: true race differences or differential item functioning?
Authors: Coffman Donna L. , BeLue Rhonda 
Published: June 2009

AbstractThe sense of community index (SCI) has been widely used to measure psychological sense of community (SOC). Furthermore, SOC has been found to differ among racial groups. Because different ethnic groups have different cultural and historical experiences that may lead to different interpretations of measurement items, it is important to know whether the instrument used to measure the construct of interest has equivalency in measurement across groups or if the instrument exhibits differential item functioning (DIF). Examining DIF in the SCI helps assure that subgroup comparisons identify true differences in SOC between Blacks and Whites. Although we did not find DIF between races, we did find that the SCI question, “I feel at home in my neighborhood,” was a more reliable measure of SOC for Whites than for Blacks. In other words, this item has less measurement error for Whites than for Blacks. Therefore, differences on the SCI may be attributable to true differences in SOC between races rather than DIF. © 2009 Wiley Periodicals, Inc.
Linking formal and informal support in multiproblem low‐income families: the role of the family manager
Authors: Sousa Liliana , Rodrigues Sofia 
Published: June 2009

AbstractMultiproblem low‐income families face multiple long‐term problems in contexts deprived of economic resources, and they use various forms of formal and informal support to overcome these problems. This study examines how families coordinate the diverse strategies. A sample of 150 multiproblem, low‐income families was surveyed by means of an interview that comprised three open questions: Which problems do you feel exist in your family? What strategies does your family use to cope with each of these problems? How does your family bring together the different types of support? Main findings suggest that a member of the family (the family manager) coordinates and links informal and formal types of support. Families do not adopt a passive attitude toward problem solving because they activate and manage multiple formal and informal strategies. It is suggested that professionals could promote the coordination between formal and informal strategies without taking away autonomy from the families. © 2009 Wiley Periodicals, Inc.
Residential mobility and exposure to neighborhood crime: risks for young children's aggression
Authors: Parente Maria E. , Mahoney Joseph L. 
Published: June 2009

AbstractThis three‐year longitudinal study investigated associations between residential mobility, neighborhood crime, and aggression during middle childhood. Participants were 460 children (M age = 6.9 years, SD = 1.1) residing in a disadvantaged city in the Northeastern United States. Residential mobility was determined from school records, teachers provided ratings of aggression, and city police reports of call complaints provided information on neighborhood crime. Neighborhoods were classified as average or high crime. Results showed that mobility and neighborhood crime were significantly (p<.05) related to boys' (but not girls') aggression. Boys' aggression was relatively high if they: (1) moved; (2) had stable residence in a high‐crime neighborhood; and (3) both moved and lived in high crime. Net of demographic characteristics and baseline adjustment, boys who moved from an average to high‐crime neighborhood showed particularly high aggression. © 2009 Wiley Periodicals, Inc.
Organizational socialization of volunteers: the effect on their intention to remain
Authors: Hidalgo M. Carmen , Moreno Pilar 
Published: June 2009

AbstractIdentifying the factors affecting the retention of volunteers in their activities is one of the main objectives for researchers and volunteer managers. There have been many studies with this aim and many factors affecting sustained volunteerism have been identified. However, one of the limits of these models is the low percentage of explained variance, which indicates that there are other additional factors, yet unidentified, which may have an important influence in the prediction of durability as a volunteer. In our study, we intend to analyze the effect that some factors of organizational socialization of volunteers have on their intention to remain volunteers. In particular, we will focus on the level of integration in the organization, evaluated from five variables: social networks, training, understanding, social support inside the organization, and characteristics of the job they perform. The statistical analysis shows that social networks, organizational support, positive task, and formation are highly significant predictors of the intention to remain a volunteer. These four variables explain 29% of the variability of the dependent variable, while the variables understanding and social support of the volunteers were excluded from the regression equation. © 2009 Wiley Periodicals, Inc.
Longitudinal relationships between neighboring behavior and depressive symptoms in Hispanic older adults in Miami, Florida
Authors: Brown Scott C. , Mason Craig A. , Perrino Tatiana , Hirama Ikkei , Verdeja Rosa , Spokane Arnold R. , Cruza‐Guet Maria Cristina , Lopez Barbara , Pantin Hilda , Szapocznik José 
Published: June 2009

AbstractThis study examines the relationship between neighboring behavior and depressive symptoms across 3 years in a prospective study of 273 community‐dwelling, Hispanic older adults in Miami, Florida. The analyses extend the literature by testing for a bidirectional or reciprocal relationship between neighboring behavior and depressive symptoms over time and examining the relationship between these variables in Hispanic older adults, a group at risk of developing depressive symptoms. Structural Equation Modeling with a cross‐lagged panel design showed that depressive symptoms were unrelated to subsequent neighboring behavior. However, neighboring behavior was related to subsequent depressive symptoms at every time point, such that higher levels of neighboring behavior were related to lower levels of depressive symptoms. Findings suggest that neighboring behavior may be a protective factor against depressive symptoms in community‐dwelling Hispanic older adults. © 2009 Wiley Periodicals, Inc.