Enrichment Procedures for Soft Clusters: A Statistical Test and its Applications

Clusters, typically mined by modeling locality of attribute spaces, are often evaluated for their ability to demonstrate ‘enrichment’ of categorical features. A cluster enrichment procedure evaluates the membership of a cluster for significant representation in pre-defined categories of interest. While classical enrichment procedures assume a hard clustering definition, in this paper we introduce a new statistical test that computes enrichments for soft clusters. We demonstrate an application of this test in refining and evaluating soft clusters for classification of remotely sensed images

Structure of Tagatose-1,6-bisphosphate Aldolase. Insight into chiral discrimination, mechanism, and specificity of class II aldolases

Tagatose-1,6-bisphosphate aldolase (TBPA) is a tetrameric class II aldolase that catalyzes the reversible condensation of dihydroxyacetone phosphate with glyceraldehyde 3-phosphate to produce tagatose 1,6-bisphosphate. The high resolution (1.45 Å) crystal structure of the Escherichia coli enzyme, encoded by the agaY gene, complexed with phosphoglycolohydroxamate (PGH) has been determined. Two subunits comprise the asymmetric unit, and a crystallographic 2-fold axis generates the functional tetramer. A complex network of hydrogen bonds position side chains in the active site that is occupied by two cations. An unusual Na(+) binding site is created using a interaction with Tyr(183) in addition to five oxygen ligands. The catalytic Zn(2+) is five-coordinate using three histidine nitrogens and two PGH oxygens. Comparisons of TBPA with the related fructose-1,6-bisphosphate aldolase (FBPA) identifies common features with implications for the mechanism. Because the major product of the condensation catalyzed by the enzymes differs in the chirality at a single position, models of FBPA and TBPA with their cognate bisphosphate products provide insight into chiral discrimination by these aldolases. The TBPA active site is more open on one side than FBPA, and this contributes to a less specific enzyme. The availability of more space and a wider range of aldehyde partners used by TBPA together with the highly specific nature of FBPA suggest that TBPA might be a preferred enzyme to modify for use in biotransformation chemistry

Challenges to the Integration of Renewable Resources at High System Penetration

Successfully integrating renewable resources into the electric grid at penetration levels to meet a 33 percent Renewables Portfolio Standard for California presents diverse technical and organizational challenges. This report characterizes these challenges by coordinating problems in time and space, balancing electric power on a range of scales from microseconds to decades and from individual homes to hundreds of miles. Crucial research needs were identified related to grid operation, standards and procedures, system design and analysis, and incentives, and public engagement in each scale of analysis. Performing this coordination on more refined scales of time and space independent of any particular technology, is defined as a “smart grid.” “Smart” coordination of the grid should mitigate technical difficulties associated with intermittent and distributed generation, support grid stability and reliability, and maximize benefits to California ratepayers by using the most economic technologies, design and operating approaches

A compiler approach to scalable concurrent program design

The programmer's most powerful tool for controlling complexity in program design is abstraction. We seek to use abstraction in the design of concurrent programs, so as to separate design decisions concerned with decomposition, communication, synchronization, mapping, granularity, and load balancing. This paper describes programming and compiler techniques intended to facilitate this design strategy. The programming techniques are based on a core programming notation with two important properties: the ability to separate concurrent programming concerns, and extensibility with reusable programmer-defined abstractions. The compiler techniques are based on a simple transformation system together with a set of compilation transformations and portable run-time support. The transformation system allows programmer-defined abstractions to be defined as source-to-source transformations that convert abstractions into the core notation. The same transformation system is used to apply compilation transformations that incrementally transform the core notation toward an abstract concurrent machine. This machine can be implemented on a variety of concurrent architectures using simple run-time support. The transformation, compilation, and run-time system techniques have been implemented and are incorporated in a public-domain program development toolkit. This toolkit operates on a wide variety of networked workstations, multicomputers, and shared-memory multiprocessors. It includes a program transformer, concurrent compiler, syntax checker, debugger, performance analyzer, and execution animator. A variety of substantial applications have been developed using the toolkit, in areas such as climate modeling and fluid dynamics

An integrated software system for geometric correction of LANDSAT MSS imagery

A system for geometrically correcting LANDSAT MSS imagery includes all phases of processing, from receiving a raw computer compatible tape (CCT) to the generation of a corrected CCT (or UTM mosaic). The system comprises modules for: (1) control of the processing flow; (2) calculation of satellite ephemeris and attitude parameters, (3) generation of uncorrected files from raw CCT data; (4) creation, management and maintenance of a ground control point library; (5) determination of the image correction equations, using attitude and ephemeris parameters and existing ground control points; (6) generation of corrected LANDSAT file, using the equations determined beforehand; (7) union of LANDSAT scenes to produce and UTM mosaic; and (8) generation of output tape, in super-structure format

Reassessment of Acarbose as a Transition State Analogue Inhibitor of Cyclodextrin Glycosyltransferase

The binding of several different active site mutants of Bacillus circulans cyclodextrin glycosyltransferase to the inhibitor acarbose has been investigated through measurement of Ki values. The mutations represent several key amino acid positions, most of which are believed to play important roles in governing the product specificity of cyclodextrin glycosyltransferase. Michaelis-Menten parameters for the substrates α-maltotriosyl fluoride (αG3F) and α-glucosyl fluoride (αGF) with each mutant have been determined by following the enzyme-catalyzed release of fluoride with an ion-selective fluoride electrode. In both cases, reasonable correlations are observed in logarithmic plots relating the Ki value for acarbose with each mutant and both kcat/Km and Km for the hydrolysis of either substrate by the corresponding mutants. This indicates that acarbose, as an inhibitor, is mimicking aspects of both the ground state and the transition state. A better correlation is observed for αGF (r = 0.98) than αG3F (r = 0.90), which can be explained in terms of the modes of binding of these substrates and acarbose. Re-refinement of the previously determined crystal structure of wild-type CGTase complexed with acarbose reveals a binding mode consistent with the transition state analogue character of this inhibitor.