bluuebunny/crossref_metadata_2025_split huggingface dataset:
The generator coordinate method in the unrestricted Hartree‐Fock formalism
Authors: Angelotti W. F. D. , Haiduke R. L. A. , Trsic M. 
Published: May 2011

AbstractThe generator coordinate method was implemented in the unrestricted Hartree‐Fock formalism. Weight functions were built from Gaussian generator functions for 1s, 2s, and 2p orbitals of carbon and oxygen atoms. These weight functions show a similar behavior to those found in the generator coordinate restricted Hartree‐Fock method, i.e., they are smooth, continuous, and tend to zero in the limits of integration. Moreover, the weight functions obtained are different for spin‐up and spin‐down electrons what is a result from spin polarization. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012
Energies, fine structures, and radiative lifetimes for the multiexcited quartet states of B‐like oxygen
Authors: Sun Yan , Chen Feng , Zhuo Lin , Gou Bing Cong 
Published: May 2011

AbstractEnergies for the multiexcited states 1s22s2pnl and 1s22p2nl 4Pe,o (n ≥ 2) of B‐like oxygen are calculated using Rayleigh–Ritz variation method with configuration interaction. The mass polarization and relativistic corrections are obtained with first‐order perturbation theory. Configuration structures of the high‐lying multiexcited series are identified by energies and contribution to normalization of angular‐spin components. These structures are further checked by calculations of relativistic corrections and fine structure splittings. Hyperfine parameters and hyperfine coupling constants are calculated for the first time. Wavelengths including quantum electrodynamic effect and higher‐order relativistic corrections and lifetimes are also calculated. These results are compared with available results in the literature. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012
Charge density distribution and electrostatic moments ofN‐(4‐chloro‐3‐ trifluromethyl‐phenyl)‐2‐ethoxy‐benzamide molecule at the active site of p300 enzyme: A quantum chemical and theoretical charge density study
Authors: Devipriya Balu , Parameswari Azhagesan Renuga , Rajalakshmi Gnanasekaran , Kumaradhas Poomani 
Published: May 2011

AbstractA Charge density analysis of CTB molecule in gas phase (FormI) and the same present at the active site (FormII) of p300 enzyme were performed for the wave functions obtained from the Density functional method (B3LYP) with the basis set 6‐311G**. This study has been carried out to understand the nature of conformational modification, charge redistribution and the change of electrostatic moments of the CTB molecule when present at the active site of p300. The difference of charge density distribution between both forms of CTB molecule explicitly indicates the effect of intermolecular interaction on CTB molecule in the active site. The dipole moment of CTB in the gas phase (9.6 D) has been significantly decreased (4.27 D) when it present at the active site of p300; this large variation is attributed to the charge redistribution in CTB, due to the intermolecular interaction between the CTB and the receptor p300 molecule. The electrostatic potential maps differentiate the difference of electrostatic potential between the two forms. A large electronegative region is found at the vicinity of oxygen and fluorine atoms. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012
A novel haptic robotic viscogram for characterizing the viscoelastic behaviour of breast tissue in clinical examinations
Authors: Mojra Afsaneh , Najarian Siamak , Towliat Kashani Seyed Mohsen , Panahi Farzad , Yaghmaei Mostafa 
Published: May 2011

AbstractBackgroundThis paper presents a novel tactile sensing robot designed to characterize the viscoelastic behaviour of breast tissue during clinical breast examination (CBE). The robot, named the ‘robotic tactile breast mass identifier’ (Robo‐Tac‐BMI), mainly consists of an indentation probe controlled by a robotic system and a visualization interface to manipulate the end‐effector. Major high order mechanical parameters are extracted to characterize the viscoelastic behaviour of the tissue in order to certify mass detection and judge the mass type. By fusing the measurements over both breasts, the probe can generalize a mechanical image to visualize the viscoelastic distribution within the internal tissue. The viscoelastic properties provide additional and objective information to facilitate the surgeon's task in the decision‐making process.MethodsA new computational method is presented for characterizing mass existence in a real breast model. The effect of the strain rate on the mechanical properties is considered to study the viscoelastic behaviour of different mass types. A creative method is proposed to find the optimum strain rate for different mass positions and consistencies, which improves nodule detection. The computational results would be used as the basis for the design and set‐up of the Robo‐Tac‐BMI. Clinical tests with statistical analyses were performed on 161 cases, using the Robo‐Tac‐BMI.ResultsThe results include analysis of two high‐order mechanical properties. Robo‐Tac‐BMI's capability of nodule detection and differentiation between benign and malignant mass types are investigated. The results were validated by ‘gold standard’ tests.ConclusionThe results show that Robo‐Tac‐BMI has the potential to provide high‐order mechanical parameters, unlike the conventional screening modality carried out by the surgeon, which is not inclusive or quantitative and lacks effectiveness and documentation. The nodule detection ability of this device is confirmed statistically in clinical breast examinations. Differentiation between different mass types is reported as the preliminary result of Robo‐Tac‐BMI utilization. Copyright © 2011 John Wiley & Sons, Ltd.
Singular vectors under random perturbation
Authors: Vu Van 
Published: May 2011

AbstractComputing the first few singular vectors of a large matrix is a problem that frequently comes up in statistics and numerical analysis. Given the presence of noise, an exact calculation is hard to achieve, and the following problem is of importance:How much does a small perturbation to the matrix change the singular vectors?Answering this question, classical theorems, such as those of Davis‐Kahan and Wedin, give tight estimates for the worst‐case scenario. In this paper, we show that if the perturbation (noise) is random and our matrix has low rank, then better estimates can be obtained. Our method relies on high dimensional geometry and is different from those used in earlier papers. © 2011 Wiley Periodicals, Inc. Random Struct. Alg., 2011
Nanostructural investigation of frontalis sling biomaterial surfaces
Authors: Choi Samjin , Shin Jae‐Ho , Cheong Youjin , Lee Hui‐Jae , Jin Kyung‐Hyun , Park Hun‐Kuk 
Published: May 2011

AbstractThis study examined the nanostructural surface of three frontalis sling biomaterials: autogenous fascia lata, preserved fascia lata and silicone rod. The morphological characteristics of the sling biomaterial surfaces were examined qualitatively and quantitatively by scanning electron microscopy and atomic force microscopy, respectively. The autogenous fascia lata showed well‐arranged nanostructures of parallel fascia collagen fibrils with clear 67 nm axial periodicity, whereas the preserved fascia lata showed tangled nanostructures of damaged collagen fibril bundles. The silicone rod showed a substantial amount of debris with some scratches and the smoothest roughness compared with the other sling biomaterials, followed by preserved fascia lata. Autogenous fascia lata showed the highest surface roughness. The association between the roughness and cell adhesion suggests that the nanostructure of autogenous fascia lata biomaterials is the best for frontalis sling and that of the silicone rod biomaterials is the worst. SCANNING 33:419–425, 2011. © 2011 Wiley Periodicals, Inc.
Ultrastructural investigation of intact orbital implant surfaces using atomic force microscopy
Authors: Choi Samjin , Lee Seung Jun , Shin Jae‐Ho , Cheong Youjin , Lee Hui‐Jae , Paek Joo Hee , Kim Jae Sik , Jin Kyung‐Hyun , Park Hun‐Kuk 
Published: May 2011

AbstractThis study examined the surface nanostructures of three orbital implants: nonporous poly(methyl methacrylate) (PMMA), porous aluminum oxide and porous polyethylene. The morphological characteristics of the orbital implants surfaces were observed by atomic force microscopy (AFM). The AFM topography, phase shift and deflection images of the intact implant samples were obtained. The surface of the nonporous PMMA implant showed severe scratches and debris. The surface of the aluminum oxide implant showed a porous structure with varying densities and sizes. The PMMA implant showed nodule nanostructures, 215.56 ± 52.34 nm in size, and the aluminum oxide implant showed crystal structures, 730.22 ± 341.02 nm in size. The nonporous PMMA implant showed the lowest roughness compared with other implant biomaterials, followed by the porous aluminum oxide implant. The porous polyethylene implant showed the highest roughness and severe surface irregularities. Overall, the surface roughness of orbital implants might be associated with the rate of complications and cell adhesion. SCANNING 33: 211–221, 2011. © 2011 Wiley Periodicals, Inc.
New insights into the Sn underpotential deposition on Au(100)
Authors: Meier L. A. , García S. G. , Salinas D. R. 
Published: May 2011

AbstractThe underpotential deposition (UPD) of Sn in the system Au(100)/Sn2+, SO42− has been studied by classical electrochemical techniques and in situ scanning tunneling microscopy. The results show that the Sn UPD initiates at relatively high potentials with the formation of a quasi‐hexagonal structure characterized as Au(100) − (√2 × 7)R45°. This expanded overlayer contributes to the modification of the surface morphology which exhibits flat terraces with step edges showing angles of 60 or 120°. At lower potentials two‐dimensional (2D) islands are formed which tend to grow, causing a coverage increase. In the underpotential region close to the formation of the 3D bulk phase the long time polarization experiments indicate the formation of different Au–Sn alloy phases. Copyright © 2011 John Wiley & Sons, Ltd.
Hidden Markov models for zero‐inflated Poisson counts with an application to substance use
Authors: DeSantis Stacia M. , Bandyopadhyay Dipankar 
Published: May 2011

AbstractParadigms for substance abuse cue‐reactivity research involve pharmacological or stressful stimulation designed to elicit stress and craving responses in cocaine‐dependent subjects. It is unclear as to whether stress induced from participation in such studies increases drug‐seeking behavior. We propose a 2‐state Hidden Markov model to model the number of cocaine abuses per week before and after participation in a stress‐and cue‐reactivity study. The hypothesized latent state corresponds to ‘high’ or ‘low’ use. To account for a preponderance of zeros, we assume a zero‐inflated Poisson model for the count data. Transition probabilities depend on the prior week's state, fixed demographic variables, and time‐varying covariates. We adopt a Bayesian approach to model fitting, and use the conditional predictive ordinate statistic to demonstrate that the zero‐inflated Poisson hidden Markov model outperforms other models for longitudinal count data. Copyright © 2011 John Wiley & Sons, Ltd.
Age‐Dependent Changes in Microscale Stiffness and Mechanoresponses of Cells
Authors: Zahn Jasmin T. , Louban Ilia , Jungbauer Simon , Bissinger Martin , Kaufmann Dieter , Kemkemer Ralf , Spatz Joachim P. 
Published: May 2011

AbstractCellular ageing can lead to altered cell mechanical properties and is known to affect many fundamental physiological cell functions. To reveal age‐dependent changes in cell mechanical properties and in active mechanoresponses, the stiffness of human fibroblasts from differently aged donors was determined, as well as the cell’s reaction to periodic mechanical deformation of the culture substrate, and the two parameters were correlated. A comparison of the average Young’s moduli revealed that cells from young donors (<25 years) are considerably stiffer than cells from older donors (>30 years). The reduced stiffness of cells from the older donor group corresponds to the measured decrease of actin in these cells. Remarkably, cells from the older donor group show a significantly faster reorganization response to periodic uniaxial tensile strain than cells from the young donor group. The impact of a reduced amount of actin on cell stiffness and cell reorganization kinetics is further confirmed by experiments where the amount of cellular actin in cells from the young donor group was decreased by transient siRNA knockdown of the actin gene. These cells show a reduced stiffness and enhanced reorganization speed, and in this way mimic the properties and behavior of cells from the older donor group. These results demonstrate that mechanical properties of human fibroblasts depend on the donor’s age, which in turn may affect the cells’ active responses to mechanical stimulations.
Privacy‐aware shared UI toolkit for nomadic environments
Authors: Arthur Richard B. , Olsen Dan R. 
Published: May 2011

SUMMARYAs computing becomes more nomadic, privacy becomes a greater concern. People use portable devices to annex displays in their environments so that they can share information with other people. However, private information such as usernames, e‐mail addresses, and folder names are shown on foreign displays. In addition, foreign keyboards can be used to enter in passwords generating a significant privacy and security risk. Because nomadic users' sensitive data is constantly at risk for exploitation via the UI toolkit, a solution for protecting user privacy must include that toolkit. This paper introduces the XICE framework—a windowing toolkit that provides easy display annexing and includes a robust privacy framework to help protect users and their data. This paper discusses the exploits that annexing external devices introduces and how XICE mitigates or eliminates those threats safely and naturally for both users and developers. Copyright © 2011 John Wiley & Sons, Ltd.
Using concepts of content‐based image retrieval to implement graphical testing oracles
Authors: Delamaro Marcio Eduardo , de Lourdes dos Santos Nunes Fátima , de Oliveira Rafael Alves Paes 
Published: May 2011

SUMMARYAutomation of testing is an essential requirement to render it viable for software development. Although there are several testing techniques and criteria in many different domains, developing methods to test programs with complex outputs remains an unsolved challenge. This setting includes programs with graphical output, which produce images or interface windows. One possible approach towards automating the testing activity is the use of automatic oracles in which a reference image, taken as correct, can be used to establish a correctness measure in the tested program execution. A method that uses concepts of content‐based image retrieval to facilitate oracle automation in the domain of programs with graphics output is presented. Two case studies, one using a computer‐aided diagnostic system and one using a Web application, are presented, including some reflections and discussions that demonstrate the feasibility of the proposed approach. Copyright © 2011 John Wiley & Sons, Ltd.
Sources, media, and modes of climate change communication: the role of celebrities
Authors: Anderson Alison 
Published: May 2011

AbstractThis article reviews existing research on the portrayal of climate change within the print media, paying particular attention to the increasing role that celebrities have come to play within popular culture. While this is certainly not a new development, celebrities are increasingly appearing as key voices within the climate change debate, providing a powerful news hook and potential mobilizing agent. Early coverage of climate change was dominated by scientific sources, but as the debate became more institutionalized and politicized a wider variety of competing sources entered the news arena. Yet media prominence is not necessarily a reliable indicator of influence. How issues are framed is of crucial importance and celebrity interventions can be a double‐edged sword. WIREs Clim Change 2011 2 535–546 DOI: 10.1002/wcc.119This article is categorized under:

Perceptions, Behavior, and Communication of Climate Change > Communication
Sensor selection to support practical use of health‐monitoring smart environments
Authors: Cook Diane J. , Holder Lawrence B. 
Published: May 2011

AbstractThe data mining and pervasive sensing technologies found in smart homes offer unprecedented opportunities for providing health monitoring and assistance to individuals experiencing difficulties in living independently at home. In order to monitor the functional health of smart home residents, we need to design technologies that recognize and track activities that people normally perform as part of their daily routines. One question that frequently arises, however, is how many smart home sensors are needed and where should they be placed in order to accurately recognize activities? We employ data mining techniques to look at the problem of sensor selection for activity recognition in smart homes. We analyze the results based on six datasets collected in five distinct smart home environments. © 2011 John Wiley & Sons, Inc. WIREs Data Mining Knowl Discov 2011 1 339–351 DOI: 10.1002/widm.20This article is categorized under:

Application Areas > Science and Technology
Cluster ensembles
Authors: Ghosh Joydeep , Acharya Ayan 
Published: May 2011

AbstractCluster ensembles combine multiple clusterings of a set of objects into a single consolidated clustering, often referred to as the consensus solution. Consensus clustering can be used to generate more robust and stable clustering results compared to a single clustering approach, perform distributed computing under privacy or sharing constraints, or reuse existing knowledge. This paper describes a variety of algorithms that have been proposed to address the cluster ensemble problem, organizing them in conceptual categories that bring out the common threads and lessons learnt while simultaneously highlighting unique features of individual approaches. © 2011 John Wiley & Sons, Inc. WIREs Data Mining Knowl Discov 2011 1 305–315 DOI: 10.1002/widm.32This article is categorized under:

Technologies > Structure Discovery and Clustering
Pre‐mRNA splicing during transcription in the mammalian system
Authors: Pandya‐Jones Amy 
Published: May 2011

AbstractSplicing of RNA polymerase II transcripts is a crucial step in gene expression and a key generator of mRNA diversity. Splicing and transcription have generally been studied in isolation, although in vivo pre‐mRNA splicing occurs in concert with transcription. The two processes appear to be functionally connected because a number of variables that regulate transcription have been identified as also influencing splicing. However, the mechanisms that couple the two processes are largely unknown. This review highlights the observations that implicate splicing as occurring during transcription and describes the evidence supporting functional interactions between the two processes. I discuss postulated models of how splicing couples to transcription and consider the potential impact that such coupling might have on exon recognition. WIREs RNA 2011 2 700–717 DOI: 10.1002/wrna.86This article is categorized under:

RNA Processing > Capping and 5' End Modifications
RNA Processing > Splicing Mechanisms
RNA Processing > Splicing Regulation/Alternative Splicing
RNA Processing > 3' End Processing
Small RNA and transcriptional upregulation
Authors: Portnoy Victoria , Huang Vera , Place Robert F. , Li Long‐Cheng 
Published: May 2011

AbstractSmall RNA molecules, such as microRNA and small interfering RNA, have emerged as master regulators of gene expression through their ability to suppress target genes in a phenomenon collectively called RNA interference (RNAi). There is growing evidence that small RNAs can also serve as activators of gene expression by targeting gene regulatory sequences. This novel mechanism, known as RNA activation (RNAa), appears to be conserved in at least mammalian cells and triggered by both endogenous and artificially designed small RNAs. RNAa depends on Argonaute proteins, but possesses kinetics distinct from that of RNAi. Epigenetic changes are associated with RNAa and may contribute to transcriptional activation of target genes, but the underlying mechanism remains elusive. Given the potential of RNAa as a molecular tool for studying gene function and as a therapeutic for disease, further research is needed to completely elucidate its molecular mechanism in order to refine the rules for target selection and improve strategies for exploiting it therapeutically. WIREs RNA 2011 2 748–760 DOI: 10.1002/wrna.90This article is categorized under:

Regulatory RNAs/RNAi/Riboswitches > RNAi: Mechanisms of Action
Regulatory RNAs/RNAi/Riboswitches > Regulatory RNAs
Semen Characteristics and artificial insemination in rockhopper penguins (Eudyptes chrysocome chrysocome)
Authors: Waldoch Jennifer , Root Tammy , Dubach Jean M. , Proudfoot Jeffry , Ramer Jan 
Published: May 2011

AbstractThis work was performed as part of a multi‐year study to determine the cause of the low fertility in captive rockhopper penguins (Eudyptes chrysocome chrysocome) and attempt to increase the fertility through artificial insemination (AI). Semen collection and characterization was performed on 14 male rockhopper penguins. The samples were evaluated for volume, sperm concentration, and sperm quality (motility, forward motility, viability, and morphology). There was a large variation between individuals and between collections for each individual. Mean volume of ejaculate was 0.24 ml. Mean concentration was 47.09 × 106 sperm/ml. Mean number of sperm per collection was 6.57× 106. The mean motility was 49.4%. Mean forward motility was 1.7. Mean percentage of living sperm was 88.9%. Mean percentage of sperm with normal morphology was 69.4%. AI was performed on a total of 10 females using pooled semen samples. The birds were also allowed to naturally mate. Ten eggs were laid and three fertile eggs were produced, one of them hatched but died within 24 hr. Paternity testing was performed using 12 microsatellite loci, but unfortunately due to insufficient variability, the paternity of the chick and two embryos could not be determined. Zoo Biol 31: 166–180, 2012. © 2011 Wiley Periodicals, Inc.
Suckling behavior and its development in two Yangtze finless porpoise calves in captivity
Authors: Xian Yijie , Wang Kexiong , Xiao Jianqiang , Wang Ding 
Published: May 2011

AbstractWe focally observed the suckling behavior of two Yangtze finless porpoise calves, C05 and C07, in captivity. Between 15 and 730 days postpartum of C05 and between birth and 30 days postpartum of C07, 286.3 (1.9 ± 0.4 hr/day (mean ± standard deviation), n = 148 days) and 18.3 hr (2.0 ± 0.5 hr/day, n = 9 days) of video footage were recorded, in which 429 and 111 suckling events were observed, respectively. We found that the calves made their initial suckling attempts after repeated stroking of the mother's body with their rostrums. The suckling duration was 4.4 ± 1.8 sec and 4.8 ± 2.4 sec, respectively. Before suckling, the calves swam under the mother's genital region (99.1% of number of event, respectively). During suckling, the mother generally turned sideways to facilitate the calves' suckling (80.7 and 76.6%, respectively). The calves almost equally used the two mammary slits [52.2% (left) and 47.8% (right), and 44.1% (left) and 55.9% (right), respectively]. The frequency and proportion of time C05 spent suckling continuously decreased to zero by 483 days postpartum. The two variables for C07 increased following birth, to a peak at 16 days postpartum, and then decreased continuously until 30 days postpartum. We discuss the possible implications of these observations for the management and conservation of this endangered cetacean. Zoo Biol 31: 229–234, 2012. © 2011 Wiley Periodicals, Inc.