Showing papers by "University of Florida published in 2007"

Coupled-cluster theory in quantum chemistry

Abstract: Today, coupled-cluster theory offers the most accurate results among the practical ab initio electronic-structure theories applicable to moderate-sized molecules. Though it was originally proposed for problems in physics, it has seen its greatest development in chemistry, enabling an extensive range of applications to molecular structure, excited states, properties, and all kinds of spectroscopy. In this review, the essential aspects of the theory are explained and illustrated with informative numerical results.

MIMO Radar with Colocated Antennas

Abstract: We have provided a review of some recent results on the emerging technology of MIMO radar with colocated antennas. We have shown that the waveform diversity offered by such a MIMO radar system enables significant superiority over its phased-array counterpart, including much improved parameter identifiability, direct applicability of adaptive techniques for parameter estimation, as well as superior flexibility of transmit beampattern designs. We hope that this overview of our recent results on the MIMO radar, along with the related results obtained by our colleagues, will stimulate the interest deserved by this topic in both academia and government agencies as well as industry.

Pyrosequencing enumerates and contrasts soil microbial diversity

Abstract: Estimates of the number of species of bacteria per gram of soil vary between 2000 and 8.3 million (Gans et al., 2005; Schloss and Handelsman, 2006). The highest estimate suggests that the number may be so large as to be impractical to test by amplification and sequencing of the highly conserved 16S rRNA gene from soil DNA (Gans et al., 2005). Here we present the use of high throughput DNA pyrosequencing and statistical inference to assess bacterial diversity in four soils across a large transect of the western hemisphere. The number of bacterial 16S rRNA sequences obtained from each site varied from 26,140 to 53,533. The most abundant bacterial groups in all four soils were the Bacteroidetes, Betaproteobacteria and Alphaproteobacteria. Using three estimators of diversity, the maximum number of unique sequences (operational taxonomic units roughly corresponding to the species level) never exceeded 52,000 in these soils at the lowest level of dissimilarity. Furthermore, the bacterial diversity of the forest soil was phylum rich compared to the agricultural soils, which are species rich but phylum poor. The forest site also showed far less diversity of the Archaea with only 0.009% of all sequences from that site being from this group as opposed to 4%-12% of the sequences from the three agricultural sites. This work is the most comprehensive examination to date of bacterial diversity in soil and suggests that agricultural management of soil may significantly influence the diversity of bacteria and archaea.

Seventh Report of the Joint National Committee on Prevention, Detection, Evaluation, and Treatment of High Blood Pressure

Abstract: Cardiovascular disease (CVD) is the leading cause of death in the industrialized world It is present in approx 50 million Americans, but afflicts close to 1 billion persons worldwide Increasingly, societies with lesser socioeconomic privilege suffer cardiovascular end points, accounting for as much as 80% of the worldwide CVD burden The presence of hypertension increases the risk of disease in all atherosclerotic beds by several orders of magnitude Data from the Framingham Heart Study revealed that among men and women who are normotensive at the age of 55 or 65, the lifetime risk of hypertension is 90% As the population continues to grow, the number of patients with hypertension will also increase Consequently, effective management of hypertension is of paramount importance for dampening the imminent growth of CVD during the next century

Differential challenge stressor-hindrance stressor relationships with job attitudes, turnover intentions, turnover, and withdrawal behavior: A meta-analysis

Abstract: In this article, a 2-dimensional work stressor framework is used to explain inconsistencies in past research with respect to stressor relationships with retention-related criteria. Results of meta-analyses of 183 independent samples indicated that whereas hindrance stressors had dysfunctional relationships with these criteria (negative relationships with job satisfaction and organizational commitment and positive relationships with turnover intentions, turnover, and withdrawal behavior), relationships with challenge stressors were generally the opposite (positive relationships with job satisfaction and organizational commitment and negative relationships with turnover intentions and turnover). Results also suggested that the differential relationships between challenge stressors and hindrance stressors and the more distal criteria (withdrawal behavior and turnover) were due, in part, to the mediating effects of job attitudes.

Correntropy: Properties and Applications in Non-Gaussian Signal Processing

Abstract: The optimality of second-order statistics depends heavily on the assumption of Gaussianity. In this paper, we elucidate further the probabilistic and geometric meaning of the recently defined correntropy function as a localized similarity measure. A close relationship between correntropy and M-estimation is established. Connections and differences between correntropy and kernel methods are presented. As such correntropy has vastly different properties compared with second-order statistics that can be very useful in non-Gaussian signal processing, especially in the impulsive noise environment. Examples are presented to illustrate the technique.

Bone structure and formation: A new perspective

Abstract: Bone is a hierarchically structured composite material which, in addition to its obvious biological value, has been well studied by the materials engineering community because of its unique structure and mechanical properties. This article will review the existing bone literature, with emphasis on the prevailing theories regarding bone formation and structure, which lay the groundwork for proposing a new model to explain how intrafibrillar mineralization of collagen can be achieved during bone formation. Intrafibrillar refers to the fact that growth of the mineral phase is somehow directed by the collagen matrix, which leads to a nanostructured architecture consisting of uniaxially oriented nanocrystals of hydroxyapatite embedded within and roughly [0 0 1] aligned parallel to the long collagen fibril axes. Secondary (osteonal) bone, the focus of this review, is a laminated organic–inorganic composite composed primarily of collagen, hydroxyapatite, and water; but minor constituents, such as non-collagenous proteins (NCPs), are also present and are thought to play an important role in bone formation. To date, there has been no clear understanding of the role of these NCPs, although it has been generally assumed that the NCPs regulate solution crystal growth via some type of ‘epitaxial’ relationship between specific crystallographic faces and specific protein conformers. Indeed, ‘epitaxial’ relationships have been calculated; but in practice, it has not been demonstrated that intrafibrillar mineralization can be accomplished via this route. Because of the difficulty in examining biomineralization processes in vivo , the authors of this article have turned to using in vitro model systems to investigate the possible physicochemical mechanisms that may be involved in biomineralization. In the case of bone biomineral, we have now been able to duplicate the most fundamental level of bone structure, the interpenetrating nanostructured architecture, using relatively simple anionic polypeptides that mimic the polyanionic character of the NCPs. We propose that the charged polymer acts as a process-directing agent, by which the conventional solution crystallization is converted into a precursor process. This polymer-induced liquid-precursor (PILP) process generates an amorphous liquid-phase mineral precursor to hydroxyapatite which facilitates intrafibrillar mineralization of type-I collagen because the fluidic character of the amorphous precursor phase enables it to be drawn into the nanoscopic gaps and grooves of collagen fibrils by capillary action. The precursor then solidifies and crystallizes upon loss of hydration waters into the more thermodynamically stable phase, leaving the collagen fibrils embedded with nanoscopic hydroxyapatite (HA) crystals. Electron diffraction patterns of the highly mineralized collagen fibrils are nearly identical to those of natural bone, indicating that the HA crystallites are preferentially aligned with [0 0 1] orientation along the collagen fibril axes. In addition, studies of etched samples of natural bone and our mineralized collagen suggest that the long accepted “deck of cards” model of bone's nanostructured architecture is not entirely accurate. Most importantly, this in vitro model demonstrates that a highly specific, epitaxial-type interaction with NCPs is not needed to stimulate crystal nucleation and regulate crystal orientation, as has long been assumed. Instead, we propose that collagen is the primary template for crystal organization, but with the important caveat that this templating occurs only for crystals formed from an infiltrated amorphous precursor. These results suggest that the 25-year-old debate regarding bone formation via an amorphous precursor phase needs to be revisited. From a biomedical perspective, in addition to providing possible insight into the role of NCPs in bone formation, this in vitro system may pave the way toward the ultimate goal of fabricating a synthetic bone substitute that not only has a composition similar to bone, but has comparable mechanical properties and bioresorptive potential as natural bone. From a materials chemistry perspective, the non-specificity of the PILP process and capillary infiltration mechanism suggests that non-biological materials could also be fabricated into nanostructured composites using this “biomimetic” strategy.

Galaxy luminosity functions to z∼ 1 from DEEP2 and COMBO-17: Implications for red galaxy formation

Abstract: The DEEP2 and COMBO-17 surveys are compared to study luminosity functions of red and blue galaxies to z ~ 1. The two surveys have different methods and sensitivities, but nevertheless results agree. After z ~ 1, M has dimmed by 1.2-1.3 mag for all colors of galaxies, * for blue galaxies has hardly changed, and * for red galaxies has at least doubled (our formal value is ~0.5 dex). Luminosity density jB has fallen by 0.6 dex for blue galaxies but has remained nearly constant for red galaxies. These results imply that the number and total stellar mass of blue galaxies have been substantially constant since z ~ 1, whereas those of red galaxies (near L*) have been significantly rising. To explain the new red galaxies, a ``mixed'' scenario is proposed in which star formation in blue cloud galaxies is quenched, causing them to migrate to the red sequence, where they merge further in a small number of stellar mergers. This mixed scenario matches the local boxy-disky transition for nearby ellipticals, as well as red sequence stellar population scaling laws such as the color-magnitude and Mg-? relations (which are explained as fossil relics from blue progenitors). Blue galaxies enter the red sequence via different quenching modes, each of which peaks at a different characteristic mass and time. The red sequence therefore likely builds up in different ways at different times and masses, and the concept of a single process that is ``downsizing'' (or upsizing) probably does not apply. Our claim in this paper of a rise in the number of red galaxies applies to galaxies near L*. Accurate counts of brighter galaxies on the steep part of the Schechter function require more accurate photometry than is currently available.

Observational signatures and non-Gaussianities of general single-field inflation

Abstract: We perform a general study of primordial scalar non-Gaussianities in single field inflationary models. We consider models where the inflaton Lagrangian is an arbitrary function of the scalar field and its first derivative, and the sound speed is arbitrary. We find that under reasonable assumptions, the non-Gaussianity is completely determined by 5 parameters. In special limits of the parameter space, one finds distinctive ''shapes'' of the non-Gaussianity. In models with a small sound speed, several of these shapes would become potentially observable in the near future. Different limits of our formulae recover various previously known results.

Perceptual-cognitive expertise in sport: a meta-analysis.

Abstract: Research focusing on perceptual-cognitive skill in sport is abundant. However, the existing qualitative syntheses of this research lack the quantitative detail necessary to determine the magnitude of differences between groups of varying levels of skills, thereby limiting the theoretical and practical contribution of this body of literature. We present a meta-analytic review focusing on perceptual-cognitive skill in sport (N = 42 studies, 388 effect sizes) with the primary aim of quantifying expertise differences. Effects were calculated for a variety of dependent measures (i.e., response accuracy, response time, number of visual fixations, visual fixation duration, and quiet eye period) using point-biserial correlation. Results indicated that experts are better than nonexperts in picking up perceptual cues, as revealed by measures of response accuracy and response time. Systematic differences in visual search behaviors were also observed, with experts using fewer fixations of longer duration, including prolonged quiet eye periods, compared with non-experts. Several factors (e.g., sport type, research paradigm employed, and stimulus presentation modality) significantly moderated the relationship between level of expertise and perceptual-cognitive skill. Practical and theoretical implications are presented and suggestions for empirical work are provided.

CMS physics technical design report, volume II: Physics performance

Abstract: CMS is a general purpose experiment, designed to study the physics of pp collisions at 14 TeV at the Large Hadron Collider (LHC). It currently involves more than 2000 physicists from more than 150 institutes and 37 countries. The LHC will provide extraordinary opportunities for particle physics based on its unprecedented collision energy and luminosity when it begins operation in 2007. The principal aim of this report is to present the strategy of CMS to explore the rich physics programme offered by the LHC. This volume demonstrates the physics capability of the CMS experiment. The prime goals of CMS are to explore physics at the TeV scale and to study the mechanism of electroweak symmetry breaking--through the discovery of the Higgs particle or otherwise. To carry out this task, CMS must be prepared to search for new particles, such as the Higgs boson or supersymmetric partners of the Standard Model particles, from the start-up of the LHC since new physics at the TeV scale may manifest itself with modest data samples of the order of a few fb−1 or less. The analysis tools that have been developed are applied to study in great detail and with all the methodology of performing an analysis on CMS data specific benchmark processes upon which to gauge the performance of CMS. These processes cover several Higgs boson decay channels, the production and decay of new particles such as Z' and supersymmetric particles, Bs production and processes in heavy ion collisions. The simulation of these benchmark processes includes subtle effects such as possible detector miscalibration and misalignment. Besides these benchmark processes, the physics reach of CMS is studied for a large number of signatures arising in the Standard Model and also in theories beyond the Standard Model for integrated luminosities ranging from 1 fb−1 to 30 fb−1. The Standard Model processes include QCD, B-physics, diffraction, detailed studies of the top quark properties, and electroweak physics topics such as the W and Z0 boson properties. The production and decay of the Higgs particle is studied for many observable decays, and the precision with which the Higgs boson properties can be derived is determined. About ten different supersymmetry benchmark points are analysed using full simulation. The CMS discovery reach is evaluated in the SUSY parameter space covering a large variety of decay signatures. Furthermore, the discovery reach for a plethora of alternative models for new physics is explored, notably extra dimensions, new vector boson high mass states, little Higgs models, technicolour and others. Methods to discriminate between models have been investigated. This report is organized as follows. Chapter 1, the Introduction, describes the context of this document. Chapters 2-6 describe examples of full analyses, with photons, electrons, muons, jets, missing ET, B-mesons and τ's, and for quarkonia in heavy ion collisions. Chapters 7-15 describe the physics reach for Standard Model processes, Higgs discovery and searches for new physics beyond the Standard Model

American College of Radiology white paper on radiation dose in medicine.

Abstract: The benefits of diagnostic imaging are immense and have revolutionized the practice of medicine. The increased sophistication and clinical efficacy of imaging have resulted in its dramatic growth over the past quarter century. Although data derived from the atomic bomb survivors in Japan and other events suggest that the expanding use of imaging modalities using ionizing radiation may eventually result in an increased incidence of cancer in the exposed population, this problem can likely be minimized by preventing the inappropriate use of such imaging and by optimizing studies that are performed to obtain the best image quality with the lowest radiation dose. The ACR, which has been an advocate for radiation safety since its inception in 1924, convened the ACR Blue Ribbon Panel on Radiation Dose in Medicine to address these issues. This white paper details a proposed action plan for the college derived from the deliberations of that panel.

Ecological and evolutionary insights from species invasions

Abstract: Species invasions provide numerous unplanned and frequently, but imperfectly, replicated experiments that can be used to better understand the natural world. Classic studies by Darwin, Grinnell, Elton and others on these species-invasion experiments provided invaluable insights for ecology and evolutionary biology. Recent studies of invasions have resulted in additional insights, six of which we discuss here; these insights highlight the utility of using exotic species as 'model organisms'. We also discuss a nascent hypothesis that might provide a more general, predictive understanding of invasions and community assembly. Finally, we emphasize how the study of invasions can help to inform our understanding of applied problems, such as extinction, ecosystem function and the response of species to climate change.

Studying sex and gender differences in pain and analgesia: a consensus report

Abstract: In September 2006, members of the Sex, Gender and Pain Special Interest Group of the International Association for the Study of Pain met to discuss the following: (1) what is known about sex and gender differences in pain and analgesia; (2) what are the "best practice" guidelines for pain research with respect to sex and gender; and (3) what are the crucial questions to address in the near future? The resulting consensus presented herein includes input from basic science, clinical and psychosocial pain researchers, as well as from recognized experts in sexual differentiation and reproductive endocrinology. We intend this document to serve as a utilitarian and thought-provoking guide for future research on sex and gender differences in pain and analgesia, both for those currently working in this field as well as those still wondering, "Do I really need to study females?"

Trends in theory building and theory testing: a five-decade study of the academy of management journal

Abstract: We introduce a taxonomy that reflects the theoretical contribution of empirical articles along two dimensions: theory building and theory testing. We used that taxonomy to track trends in the theoretical contributions offered by articles over the past five decades. Results based on data from a sample of 74 issues of the Academy of Management Journal reveal upward trends in theory building and testing over time. In addition, the levels of theory building and testing within articles are significant predictors of citation rates. In particular, articles rated moderate to high on both dimensions enjoyed the highest levels of citations.

Early human use of marine resources and pigment in South Africa during the Middle Pleistocene

Abstract: Genetic and anatomical evidence suggests that Homo sapiens arose in Africa between 200 and 100 thousand years (kyr) ago, and recent evidence indicates symbolic behaviour may have appeared approximately 135-75 kyr ago. From 195-130 kyr ago, the world was in a fluctuating but predominantly glacial stage (marine isotope stage MIS6); much of Africa was cooler and drier, and dated archaeological sites are rare. Here we show that by approximately 164 kyr ago (+/-12 kyr) at Pinnacle Point (on the south coast of South Africa) humans expanded their diet to include marine resources, perhaps as a response to these harsh environmental conditions. The earliest previous evidence for human use of marine resources and coastal habitats was dated to approximately 125 kyr ago. Coincident with this diet and habitat expansion is an early use and modification of pigment, probably for symbolic behaviour, as well as the production of bladelet stone tool technology, previously dated to post-70 kyr ago. Shellfish may have been crucial to the survival of these early humans as they expanded their home ranges to include coastlines and followed the shifting position of the coast when sea level fluctuated over the length of MIS6.

Slow Star Formation in Dense Gas: Evidence and Implications

Abstract: It has been known for more than 30 years that star formation in giant molecular clouds (GMCs) is slow, in the sense that only ~1% of the gas forms stars every free-fall time. This result is entirely independent of any particular model of molecular cloud lifetime or evolution. Here we survey observational data on higher density objects in the interstellar medium, including infrared dark clouds and dense molecular clumps, to determine whether these objects form stars slowly like GMCs, or rapidly, converting a significant fraction of their mass into stars in one free-fall time. We find no evidence for a transition from slow to rapid star formation in structures covering 3 orders of magnitude in density. This has important implications for models of star formation, since competing models make differing predictions for the characteristic density at which star formation should transition from slow to rapid. The data are inconsistent with models that predict that star clusters form rapidly and in free-fall collapse. Magnetic- and turbulence-regulated star formation models can reproduce the observations qualitatively, and the turbulence-regulated star formation model of Krumholz & McKee quantitatively reproduces the infrared-HCN luminosity correlation recently reported by Gao & Solomon Slow star formation also implies that the process of star cluster formation cannot be one of global collapse, but must instead proceed over many free-fall times. This suggests that turbulence in star-forming clumps must be driven, and that the competitive accretion mechanism does not operate in typical cluster-forming molecular clumps.

Self-efficacy and work-related performance: the integral role of individual differences.

Abstract: The present study estimated the unique contribution of self-efficacy to work-related performance controlling for personality (the Big 5 traits), intelligence or general mental ability, and job or task experience. Results, based on a meta-analysis of the relevant literatures, revealed that overall, across all studies and moderator conditions, the contribution of self-efficacy relative to purportedly more distal variables is relatively small. Within moderator categories, there were several cases in which self-efficacy made unique contributions to work-related performance. For example, self-efficacy predicted performance in jobs or tasks of low complexity but not those of medium or high complexity, and self-efficacy predicted performance for task but not job performance. Overall, results suggest that the predictive validity of self-efficacy is attenuated in the presence of individual differences, though this attenuation does depend on the context.

A record anisotropy barrier for a single-molecule magnet.

Abstract: Structural distortion in a [Mn6] complex switches the magnetic exchange from antiferro- to ferromagnetic, resulting in a single-molecule magnet with a record anisotropy barrier.