Three-dimensional structure of ribonuclease T-1 complexed with an isosteric phosphonate substrate analogue of GpU: Alternate substrate binding modes and catalysis

The X-ray crystal structure of a complex between ribonuclease T-1 and guanylyl(3'-6')-6'-deoxyhomouridine (GpcU) has been determined at 2.0 Angstrom resolution. This Ligand is an isosteric analogue of the minimal RNA substrate, guanylyl(3'-5')uridine (GpU), where a methylene is substituted for the uridine 5'-oxygen atom. Two protein molecules are part of the asymmetric unit and both have a GpcU bound at the active site in the same manner. The protein-protein interface reveals an extended aromatic stack involving both guanines and three enzyme phenolic groups. A third GpcU has its guanine moiety stacked on His92 at the active site on enzyme molecule A and interacts with GpcU on molecule B in a neighboring unit via hydrogen bonding between uridine ribose 2'- and 3'-OH groups. None of the uridine moieties of the three GpcU molecules in the asymmetric unit interacts directly with the protein. GpcU-active-site interactions involve extensive hydrogen bonding of the guanine moiety at the primary recognition site and of the guanosine 2'-hydroxyl group with His40 and Glu58. on the other hand, the phosphonate group is weakly bound only by a single hydrogen bond with Tyr38, unlike ligand phosphate groups of other substrate analogues and 3'-GMP, which hydrogen-bonded with three additional active-site residues. Hydrogen bonding of the guanylyl 2'-OH group and the phosphonate moiety is essentially the same as that recently observed for a novel structure of a RNase T-1-3'-GMP complex obtained immediately after in situ hydrolysis of exo-(S-p)-guanosine 2',3'-cyclophosphorothioate [Zegers et al. (1998) Nature Struct. Biol. 5, 280-283]. It is likely that GpcU at the active site represents a nonproductive binding mode for GpU [:Steyaert, J., and Engleborghs (1995) fur. J. Biochem. 233, 140-144]. The results suggest that the active site of ribonuclease T-1 is adapted for optimal tight binding of both the guanylyl 2'-OH and phosphate groups (of GpU) only in the transition state for catalytic transesterification, which is stabilized by adjacent binding of the leaving nucleoside (U) group.

Interpolating EFGM for computing continuous and discontinuous electromagnetic fields

Purpose - This paper proposes an interpolating approach of the element-free Galerkin method (EFGM) coupled with a modified truncation scheme for solving Poisson's boundary value problems in domains involving material non-homogeneities. The suitability and efficiency of the proposed implementation are evaluated for a given set of test cases of electrostatic field in domains involving different material interfaces.Design/methodology/approach - the authors combined an interpolating approximation with a modified domain truncation scheme, which avoids additional techniques for enforcing the Dirichlet boundary conditions and for dealing with material interfaces usually employed in meshfree formulations.Findings - the local electric potential and field distributions were correctly described as well as the global quantities like the total potency and resistance. Since, the treatment of the material interfaces becomes practically the same for both the finite element method (FEM) and the proposed EFGM, FEM-oriented programs can, thus, be easily extended to provide EFGM approximations.Research limitations/implications - the robustness of the proposed formulation became evident from the error analyses of the local and global variables, including in the case of high-material discontinuity.Practical implications - the proposed approach has shown to be as robust as linear FEM. Thus, it becomes an attractive alternative, also because it avoids the use of additional techniques to deal with boundary/interface conditions commonly employed in meshfree formulations.Originality/value - This paper reintroduces the domain truncation in the EFGM context, but by using a set of interpolating shape functions the authors avoided the use of Lagrange multipliers as well Mathematics in Engineering high-material discontinuity.

A simple prescription for computing the stress-energy tensor

A non-variational technique for computing the stress-energy tensor is presented. The prescription is used, among other things, to obtain the correct field equations for Prasanna's highly nonlinear electrodynamics.

On computing discriminants of subfields of Q(zeta(pr))

The conductor-discriminant formula, namely, the Hasse Theorem, states that if a number field K is fixed by a subgroup H of Gal(Q(zeta(n))/Q), the discriminant of K can be obtained from H by computing the product of the conductors of all characters defined modulo n which are associated to K. By calculating these conductors explicitly, we derive a formula to compute the discriminant of any subfield of Q(zeta(p)r), where p is an odd prime and r is a positive integer. (C) 2002 Elsevier B.V. (USA).

On the dissimilarity between the algorithms for computing the symmetric energy-momentum tensor in ordinary field theory and general relativity

The recipe used to compute the symmetric energy-momentum tensor in the framework of ordinary field theory bears little resemblance to that used in the context of general relativity, if any. We show that if one stal ts fi om the field equations instead of the Lagrangian density, one obtains a unified algorithm for computing the symmetric energy-momentum tensor in the sense that it can be used for both usual field theory and general relativity.

Algorithm for computing the propagator for higher derivative gravity theories

A simple algorithm for computing the propagator for higher derivative gravity theories based on the Barnes-Rivers operators is presented. The prescription is used, among other things, to obtain the propagator for quadratic gravity in an unconventional gauge. We also find the propagator for both gravity and quadratic gravity in an interesting gauge recently baptized the Einstein gauge [Hitzer and Dehnen, Int. J. Theor. Phys. 36 (1997), 559].

N-methyl-D-aspartate channel and consciousness: From signal coincidence detection to quantum computing

Research on Blindsight, Neglect/Extinction and Phantom limb syndromes, as well as electrical measurements of mammalian brain activity, have suggested the dependence of vivid perception on both incoming sensory information at primary sensory cortex and reentrant information from associative cortex. Coherence between incoming and reentrant signals seems to be a necessary condition for (conscious) perception. General reticular activating system and local electrical synchronization are some of the tools used by the brain to establish coarse coherence at the sensory cortex, upon which biochemical processes are coordinated. Besides electrical synchrony and chemical modulation at the synapse, a central mechanism supporting such a coherence is the N-methyl-D-aspartate channel, working as a 'coincidence detector' for an incoming signal causing the depolarization necessary to remove Mg 2+, and reentrant information releasing the glutamate that finally prompts Ca 2+ entry. We propose that a signal transduction pathway activated by Ca 2+ entry into cortical neurons is in charge of triggering a quantum computational process that accelerates inter-neuronal communication, thus solving systemic conflict and supporting the unity of consciousness. © 2001 Elsevier Science Ltd.

On computing discriminants of subfields of ℚ (ζp r)

The conductor-discriminant formula, namely, the Hasse Theorem, states that if a number field K is fixed by a subgroup H of Gal(ℚ(ζn)/ℚ), the discriminant of K can be obtained from H by computing the product of the conductors of all characters defined modulo n which are associated to K. By calculating these conductors explicitly, we derive a formula to compute the discriminant of any subfield of ℚ(ζpr), where p is an odd rime and r is a positive integer. © 2002 Elsevier Science USA.

Sistemas computacionales para tareas estadísticas: posibilidades de cooperación interregional = Computing systems for statistical tasks: possibilities of interregional co-operation

Presenta en forma sintetica un conjunto de sistemas computacionales que se utilizan actualmente en tareas estadisticas en los paises desarrollados, y describe las actividades que la CEPAL esta desarrollando en este campo y las posibilidades de cooperacion regional en que esta empenada.

A model for computing vibration induced stresses of electronic components in a general flexible mounting

This paper develops a novel full analytic model for vibration analysis of solid-state electronic components. The model is just as accurate as finite element models and numerically light enough to permit for quick design trade-offs and statistical analysis. The paper shows the development of the model, comparison to finite elements and an application to a common engineering problem. A gull-wing flat pack component was selected as the benchmark test case, although the presented methodology is applicable to a wide range of component packages. Results showed very good agreement between the presented method and finite elements and demonstrated the usefulness of the method in how to use standard test data for a general application. © 2013 Elsevier Ltd.

Implementação do algoritmo de treinamento do classificador Floresta de Caminhos Ótimos em GPU

Pós-graduação em Ciência da Computação - IBILCE

Cloud computing in Latin America: Current situation and policy proposals

Includes bibliography.

The advance of cloud computing

The “Implementation of the National Data Centre” project, Augusto Espín, Deputy Minister of Telecommunications and Information Society, Ecuador .-- Cloud computing and public policy in Brazil, Rafael Henrique Rodrigues Moreira, Ministry of Science, Technology and Innovation, Brazil .-- “The cloud is being taken up more quickly in Latin America than in the rest of the world”, interview to Lalo Steinmann, Microsoft .-- The impact of education and research networks on the development of cloud computing Eduardo Vera, University of Chile .-- “The cloud helps to narrow divides by providing access to technology resources that used to be unaffordable”, interview to Luis Urzúa, Movistar Chile .-- “Cloud computing will be a strategic sector of the economy in the coming years”, interview to Jean-Bernard Gramunt, France’s digital strategy .-- “If take-up in Latin America is as strong as predicted, it will be a good opportunity to create and export technology”, interview to Flavio Junqueira, Yahoo! Labs.