1,518 research outputs found
Invasive disease and toxic shock due to zoonotic Streptococcus suis: An emerging infection in the East?
Sriskandan and Slater discuss the implications of Tang and colleagues' report of the largest known zoonotic outbreak of S. suis, which occurred in Sichuan Province, China, in 2005
Isolating and Reconstructing Key Components of North Atlantic Ocean Variability From a Sclerochronological Spatial Network
This is the final version. Available from AGU via the DOI in this record.Our understanding of North Atlantic Ocean variability within the coupled climate system is limited by the brevity of instrumental records and a deficiency of absolutely dated marine proxies. Here we demonstrate that a spatial network of marine stable oxygen isotope series derived from molluscan sclerochronologies (δ18Oshell) can provide skillful annually resolved reconstructions of key components of North Atlantic Ocean variability with absolute dating precision. Analyses of the common δ18Oshell variability, using principal component analysis, highlight strong connections with tropical North Atlantic and subpolar gyre (SPG) sea surface temperatures and sea surface salinity in the North Atlantic Current (NAC) region. These analyses suggest that low-frequency variability is dominated by the tropical Atlantic signal while decadal variability is dominated by variability in the SPG and salinity transport in the NAC. Split calibration and verification statistics indicate that the composite series produced using the principal component analysis can provide skillful quantitative reconstructions of tropical North Atlantic and SPG sea surface temperatures and NAC sea surface salinities over the industrial period (1864–2000). The application of these techniques with extended individual δ18Oshell series provides powerful baseline records of past North Atlantic variability into the unobserved preindustrial period. Such records are essential for developing our understanding of natural climate variability in the North Atlantic Ocean and the role it plays in the wider climate system, especially on multidecadal to centennial time scales, potentially enabling reduction of uncertainties in future climate predictions
Computational Complexity of interacting electrons and fundamental limitations of Density Functional Theory
One of the central problems in quantum mechanics is to determine the ground
state properties of a system of electrons interacting via the Coulomb
potential. Since its introduction by Hohenberg, Kohn, and Sham, Density
Functional Theory (DFT) has become the most widely used and successful method
for simulating systems of interacting electrons, making their original work one
of the most cited in physics. In this letter, we show that the field of
computational complexity imposes fundamental limitations on DFT, as an
efficient description of the associated universal functional would allow to
solve any problem in the class QMA (the quantum version of NP) and thus
particularly any problem in NP in polynomial time. This follows from the fact
that finding the ground state energy of the Hubbard model in an external
magnetic field is a hard problem even for a quantum computer, while given the
universal functional it can be computed efficiently using DFT. This provides a
clear illustration how the field of quantum computing is useful even if quantum
computers would never be built.Comment: 8 pages, 3 figures. v2: Version accepted at Nature Physics; differs
significantly from v1 (including new title). Includes an extra appendix (not
contained in the journal version) on the NP-completeness of Hartree-Fock,
which is taken from v
A novel sulfonamide non-classical carbenoid: a mechanistic study for the synthesis of enediynes
Alkynyl sulfonamides undergo sequential 1,4- then 1,2-addition/rearrangement with lithium acetylides to yield enediynes in the absence of any promoters or catalysts. Mechanistic investigations suggest that the reaction proceeds via 1,4-conjugate addition of the nucleophile to the unsaturated system to give a key alkenyl lithium species which is stabilised by an intramolecular coordination effect by a sulfonamide oxygen atom. This species can be considered a vinylidene carbenoid given the carbon atom bears both an anion (as a vinyllithium) and a leaving group (the sulfonamide). The intramolecular coordination effect serves to stabilise the vinyllithium but activates the sulfonamide motif towards nucleophilic attack by a second mole of acetylide. The resulting species can then undergo rearrangement to yield the enediyne framework in a single operation with concomitant loss of aminosulfinate
Evoked potentials in the Atlantic cod following putatively innocuous and putatively noxious electrical stimulation: a minimally invasive approach
Aspects of peripheral and central nociception
have previously been studied through recording of
somatosensory evoked potentials (SEPs) to putative
noxious stimuli in specific brain regions in a few
freshwater fish species. In the present study, we
describe a novel, minimally invasive method for
recording SEPs from the central nervous system of the
Atlantic cod (Gadus morhua). Cutaneous electric
stimulation of the tail in 15 fish elicited SEPs at all
stimulus intensities (2, 5, 10 and 20 mA) with
quantitative properties corresponding to stimulus
intensity. In contrast to previous fish studies, the
methodological approach used in Atlantic cod in the
current study uncovered a number of additional
responses that could originate from multiple brain
regions. Several of these responses were specific to
stimulation at the highest stimulus intensities, possibly
representing qualitative differences in central processing
between somatosensory and nociceptive stimuli
Dietary Supplements and Sports Performance: Metabolites, Constituents, and Extracts
This is the fifth in a series of six articles to discuss the major classes of dietary supplements (vitamins; minerals; amino acids; herbs or botanicals; and metabolites/constituents/extracts). The major focus is on efficacy of such dietary supplements to enhance exercise or sports performance
Biochemical and structural studies of a L-haloacid dehalogenase from the thermophilic archaeon Sulfolobus tokodaii
addresses: Henry Wellcome Building for Biocatalysis, School of Biosciences, University of Exeter, Stocker Road, Exeter EX4 4QD, UK.types: Journal Article; Research Support, Non-U.S. Gov'tThis a post-print, author-produced version of an article accepted for publication in Extremophiles. Copyright © 2009 Springer Verlag. The definitive version is available at http://link.springer.com/article/10.1007%2Fs00792-008-0208-0Haloacid dehalogenases have potential applications in the pharmaceutical and fine chemical industry as well as in the remediation of contaminated land. The L: -2-haloacid dehalogenase from the thermophilic archaeon Sulfolobus tokodaii has been cloned and over-expressed in Escherichia coli and successfully purified to homogeneity. Here we report the structure of the recombinant dehalogenase solved by molecular replacement in two different crystal forms. The enzyme is a homodimer with each monomer being composed of a core-domain of a beta-sheet bundle surrounded by alpha-helices and an alpha-helical sub-domain. This fold is similar to previously solved mesophilic L: -haloacid dehalogenase structures. The monoclinic crystal form contains a putative inhibitor L: -lactate in the active site. The enzyme displays haloacid dehalogenase activity towards carboxylic acids with the halide attached at the C2 position with the highest activity towards chloropropionic acid. The enzyme is thermostable with maximum activity at 60 degrees C and a half-life of over 1 h at 70 degrees C. The enzyme is relatively stable to solvents with 25% activity lost when incubated for 1 h in 20% v/v DMSO
A mathematical and computational review of Hartree-Fock SCF methods in Quantum Chemistry
We present here a review of the fundamental topics of Hartree-Fock theory in
Quantum Chemistry. From the molecular Hamiltonian, using and discussing the
Born-Oppenheimer approximation, we arrive to the Hartree and Hartree-Fock
equations for the electronic problem. Special emphasis is placed in the most
relevant mathematical aspects of the theoretical derivation of the final
equations, as well as in the results regarding the existence and uniqueness of
their solutions. All Hartree-Fock versions with different spin restrictions are
systematically extracted from the general case, thus providing a unifying
framework. Then, the discretization of the one-electron orbitals space is
reviewed and the Roothaan-Hall formalism introduced. This leads to a exposition
of the basic underlying concepts related to the construction and selection of
Gaussian basis sets, focusing in algorithmic efficiency issues. Finally, we
close the review with a section in which the most relevant modern developments
(specially those related to the design of linear-scaling methods) are commented
and linked to the issues discussed. The whole work is intentionally
introductory and rather self-contained, so that it may be useful for non
experts that aim to use quantum chemical methods in interdisciplinary
applications. Moreover, much material that is found scattered in the literature
has been put together here to facilitate comprehension and to serve as a handy
reference.Comment: 64 pages, 3 figures, tMPH2e.cls style file, doublesp, mathbbol and
subeqn package
Stretch goals and the distribution of organizational performance
Many academics, consultants, and managers advocate stretch goals to attain superior organizational performance. However, existing theory speculates that, although stretch goals may benefit some organizations, they are not a “rule for riches” for all organizations. To address this speculation, we use two experimental studies to explore the effects on the mean, median, variance, and skewness of performance of stretch compared with moderate goals. Participants were assigned moderate or stretch goals to manage a widely used business simulation. Compared with moderate goals, stretch goals improve performance for a few participants, but many abandon the stretch goals in favor of lower self-set goals, or adopt a survival goal when faced with the threat of bankruptcy. Consequently, stretch goals generate higher performance variance across organizations and a right-skewed performance distribution. Contrary to conventional wisdom, we find no positive stretch goal main effect on performance. Instead, stretch goals compared with moderate goals generate large attainment discrepancies that increase willingness to take risks, undermine goal commitment, and generate lower risk-adjusted performance. The results provide a richer theoretical and empirical appreciation of how stretch goals influence performance
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Coextensive space: virtual reality and the developing relationship between the body, the digital and physical space
Virtual Reality (VR) has traditionally required external sensors placed around a designated play space. In contrast, more recent wired and wireless systems, such as the Oculus Rift S (released in March 2019) and the Oculus Quest (released in May 2019) use cameras located on the outside of these devices to monitor their physical position. Users can now mark out a physical space that is then digitally tracked within their display. Once a play space has been established, users are alerted if they come close to breaching this boundary by the visual inclusion of a grid. Should this threshold be breached, the headset display shifts to an image of the surrounding concrete environment. We contend that physical space is increasingly being incorporated into the digital space of VR in a manner that meaningfully differs from older systems. We build our argument in the following way. First, the article explores how theories surrounding VR have implicated only a limited relationship with physical space. Second, the article introduces the concept of coextensive space as a way of understanding the developing relationship between the physical, digital and concrete reality enacted by current VR systems
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