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Evaluation ofWeb Processing Service Frameworks
As geoprocessing on the web has matured in recent years, an increasing number of geoprocessing services and functionality are becoming available in the form of online Web Processing Services (WPS). Consequently, the quality of such geoprocessing services is of importance to ensure that WPS instances fulfill users’ expectations. In this paper, we illustrate, and discuss initial results from a quantitative analysis of the performance of WPS servers. To do so, we used two test scenarios to measure response time, response size, throughput, and failure rate of five WPS servers including 52 Degree North, Deegree, GeoServer, Py- WPS, and Zoo. We also assess each WPS server in terms of qualitative metrics such as software architecture, perceived ease of use, flexibility of deployment, and quality of documentation. A case study addressing accessibility assessment is used to evaluate the relative advantages and disadvantages of each implementation, and point to challenges experienced while working with these WPS servers
Energy migration in Rhodobacter sphaeroides mutants altered by mutagenesis of the peripheral LH2 complex or by removal of the core LH1 complex
AbstractThe photosynthetic apparatus of the purple bacterium Rhodobacter sphaeroides is organised so that light energy absorbed by the peripheral antenna (LH2) complexes migrates towards the core (LH1) complex, before being trapped by the reaction centre (RC). This migration and trapping process has been studied in mutants where the energy levels of the LH2 BChls have been raised by mutagenesis of the C-terminal aromatic residues (Fowler, G.J.S., Visschers, R.W., Grief, G.G., Van Grondelle, R. and Hunter, C.N. (1992) Nature 355, 848–850), and in a mutant which lacks the core complex. In the former case, the alterations to the LH2 complexes did not prevent efficient energy transfer to the LHI-RC complex, but fluorescence emission spectra indicated that the equilibrium of energy within the system was affected so that back transfer from the LH1-RC core is minimised. This mimics the situation found in some other bacteria such as Rhodopseudomonas acidophila and Rps. cryptolactis. In the mutant lacking LH1, energy is transferred from LH2 directly to the RC, despite the absence of the core antenna. Energy transfer efficiencies for carotenoids and LH2 to LH1 were measured for the blue-shifted LH2 mutants, and were found to be high (70%) in each case. These data, together with measurements of excitation annihilation as a function of incident excitation energy, were used to estimate the domain sizes for energy transfer in these mutants. In the LH2 mutants, domains of about 50 to 170 core BChls were found, depending on the type of mutation. One effect of the removal of LH1 appears to be the reorganisation of the peripheral LH2 antenna to form domains of at least 250 BChls
A lattice model for the kinetics of rupture of fluid bilayer membranes
We have constructed a model for the kinetics of rupture of membranes under
tension, applying physical principles relevant to lipid bilayers held together
by hydrophobic interactions. The membrane is characterized by the bulk
compressibility (for expansion), the thickness of the hydrophobic part of the
bilayer, the hydrophobicity and a parameter characterizing the tail rigidity of
the lipids. The model is a lattice model which incorporates strain relaxation,
and considers the nucleation of pores at constant area, constant temperature,
and constant particle number. The particle number is conserved by allowing
multiple occupancy of the sites. An equilibrium ``phase diagram'' is
constructed as a function of temperature and strain with the total pore surface
and distribution as the order parameters. A first order rupture line is found
with increasing tension, and a continuous increase in proto-pore concentration
with rising temperature till instability. The model explains current results on
saturated and unsaturated PC lipid bilayers and thicker artificial bilayers
made of diblock copolymers. Pore size distributions are presented for various
values of area expansion and temperature, and the fractal dimension of the pore
edge is evaluated.Comment: 15 pages, 8 figure
Cocrystals of spironolactone and griseofulvin based on an in silico screening method
Cocrystal formation is considered as one of the most effective solid-state methods to alter the physicochemical properties of active pharmaceutical ingredients (APIs). In silico methods for cocrystal prediction are mostly based on structural and energetic considerations. We have developed a computational method that ranks the probability of cocrystal formation of APIs with large databases of crystal coformers (CCFs). This approach is based on using molecular electrostatic potential surfaces to assess molecular complementarity between two cocrystal components. The screening tool was applied to two low solubility drugs, namely griseofulvin and spironolactone. Promising coformer candidates were selected from a database of 310 pharmaceutically acceptable CCFs, and experimental screening was carried out. Novel solid forms were obtained by liquid-assisted grinding and were characterised by XRPD, DSC, TGA and IR. One new cocrystal of griseofulvin and two new cocrystals of spironolactone were identified, and the crystal structures were determined from the XRPD patterns. For these systems, phenols tend to act as successful H-bond donors in forming cocrystals, while carboxylic acids only give rise to physical mixtures of the two components
25th-order high-temperature expansion results for three-dimensional Ising-like systems on the simple cubic lattice
25th-order high-temperature series are computed for a general
nearest-neighbor three-dimensional Ising model with arbitrary potential on the
simple cubic lattice. In particular, we consider three improved potentials
characterized by suppressed leading scaling corrections. Critical exponents are
extracted from high-temperature series specialized to improved potentials,
obtaining , , ,
, , . Moreover, biased
analyses of the 25th-order series of the standard Ising model provide the
estimate for the exponent associated with the leading scaling
corrections. By the same technique, we study the small-magnetization expansion
of the Helmholtz free energy. The results are then applied to the construction
of parametric representations of the critical equation of state, using a
systematic approach based on a global stationarity condition. Accurate
estimates of several universal amplitude ratios are also presented.Comment: 40 pages, 15 figure
PAM50 molecular intrinsic subtypes in the nurses' health Study cohorts
Background: Modified median and subgroup-specific gene subtypes by PAM50 and IHC surrogates improved to fair centering are two essential preprocessing methods to assign when Luminal subtypes were grouped together. Using the breast cancer molecular subtypes by PAM50. We evaluated the modified median method, our study consisted of 46% PAM50 subtypes derived from both methods in a subset of Luminal A, 18% Luminal B, 14% HER2-enriched, 15% Nurses' Health Study (NHS) and NHSII participants; correlat-Basal-like, and 8% Normal-like subtypes; 53% of tumor-ed tumor subtypes by PAM50 with IHC surrogates; and adjacent tissues were Normal-like. Women with the Basal-characterized the PAM50 subtype distribution, proliferation like subtype had a higher rate of relapse within 5 years. scores, and risk of relapse with proliferation and tumor size HER2-enriched subtypes had poorer outcomes prior to weighted (ROR-PT) scores in the NHS/NHSII. 1999. Methods: PAM50 subtypes, proliferation scores, and Conclusions: Either preprocessing method may be uti-ROR-PT scores were calculated for 882 invasive breast tumors lized to derive PAM50 subtypes for future studies. The and 695 histologically normal tumor-adjacent tissues. Cox majority of NHS/NHSII tumor and tumor-adjacent tissues proportional hazards models evaluated the relationship were classified as Luminal A and Normal-like, respectively. between PAM50 subtypes or ROR-PT scores/groups with Impact: Preprocessing methods are important for the recurrence-free survival (RFS) or distant RFS. accurate assignment of PAM50 subtypes. These data provide Results: PAM50 subtypes were highly comparable evidence that either preprocessing method can be used in between the two methods. The agreement between tumor epidemiologic studies
Surface Terms as Counterterms in the AdS/CFT Correspondence
We examine the recently proposed technique of adding boundary counterterms to
the gravitational action for spacetimes which are locally asymptotic to anti-de
Sitter. In particular, we explicitly identify higher order counterterms, which
allow us to consider spacetimes of dimensions d<=7. As the counterterms
eliminate the need of ``background subtraction'' in calculating the action, we
apply this technique to study examples where the appropriate background was
ambiguous or unknown: topological black holes, Taub-NUT-AdS and Taub-Bolt-AdS.
We also identify certain cases where the covariant counterterms fail to render
the action finite, and we comment on the dual field theory interpretation of
this result. In some examples, the case of vanishing cosmological constant may
be recovered in a limit, which allows us to check results and resolve
ambiguities in certain asymptotically flat spacetime computations in the
literature.Comment: Revtex, 18 pages. References updated and few typo's fixed. Final
versio
Critical exponents and equation of state of the three-dimensional Heisenberg universality class
We improve the theoretical estimates of the critical exponents for the
three-dimensional Heisenberg universality class. We find gamma=1.3960(9),
nu=0.7112(5), eta=0.0375(5), alpha=-0.1336(15), beta=0.3689(3), and
delta=4.783(3). We consider an improved lattice phi^4 Hamiltonian with
suppressed leading scaling corrections. Our results are obtained by combining
Monte Carlo simulations based on finite-size scaling methods and
high-temperature expansions. The critical exponents are computed from
high-temperature expansions specialized to the phi^4 improved model. By the
same technique we determine the coefficients of the small-magnetization
expansion of the equation of state. This expansion is extended analytically by
means of approximate parametric representations, obtaining the equation of
state in the whole critical region. We also determine a number of universal
amplitude ratios.Comment: 40 pages, final version. In publication in Phys. Rev.
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