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At least 109 records · Page 6Linked to original sources
PubMed2003

Determination of two ternary mixtures containing phenobarbitone by second derivative of the ratio spectrum-zero-crossing and HPLC methods.

A spectrophotometric method is developed for the determination of ternary mixtures with overlapping spectra. The method is based on the use of the second derivative of the ratio spectrum with a zero-crossing technique. The ratio spectrum was obtained by dividing the absorption spectrum of the mixture by that of one of the components. The concentration of the other components are then determined from their respective calibration graphs treated similarly. The method is accurate, non-destructive and do not require resolutions of equations. The method has been applied for the resolution of two ternary mixtures, namely, phenobarbitone, methylphenobarbitone and phenytoin (1), and phenobarbitone, papaverine HCl and piperazine acefyllinate (2). Also, a HPLC method was developed for determination of phenobarbitone, papaverine and HCL and piperazine acefyllinate. The HPLC method depends upon using ODS column with a mobile phase consisting of acetonitrile-5 mM aqueous heptane sulfonic acid sodium salt (50:50, v/v) and adjusted to apparent pH 4 using acetic acid. Quantitation was achieved with UV detection at 220 nm based on peak area. The proposed methods were applied for the determination of the two ternary combinations in synthetic mixtures and in commercial pharmaceutical products. The results obtained were precise and accurate.

Anticonvulsants↗
PubMed2002

Reference values of the bioelectrical impedance vector in neonates in the first week after birth.

OBJECTIVE: To determine the reference, bivariate, tolerance intervals of the whole-body impedance vector for healthy white neonates, we performed an observational, cross-sectional study in two university hospitals. METHODS: The impedance vector (standard, tetrapolar analysis at 50-kHz frequency) was measured in 163 consecutive subjects (87 boys and 76 girls) with postnatal ages of 1 to 7 d. Bivariate vector analysis was conducted with the resistance-reactance (RXc) graph method. RESULTS: The age-specific 95% confidence intervals of mean vectors and the 95%, 75%, and 50% tolerance intervals for individual vector measurements were plotted using R and Xc components standardized by the subject's crown-to-heel length (height). Mean vectors from the groups (1, 2, and 3 to 7 d) with overlapping 95% confidence ellipses were considered representative of only one age class of 1 to 7 d. The impedance vector distribution of neonates also was compared with healthy white children (1014 boys and 1030 girls, age 2-15 y) and adult subjects (354 men and 372 women, age 15-85 y) from the same geographic area. There was a definite, progressive, vector shortening from birth, through ages 2 to 15 y, toward the adults' vector position. CONCLUSIONS: We established the reference, bivariate, 95%, 75%, and 50% tolerance intervals of the impedance vector in the first postnatal week for healthy white neonates, with which the vectors from infants with altered body composition can be tested (free software is available from apiccoli@ unipd.it).

Adolescent↗
PubMed2002

Shortest service location model for planning waste pickup locations.

A municipal solid waste (MSW) and recycled material curbside pickup bus system was recently initiated in a Taiwan city to improve collection service. For such an MSW pickup system, selecting appropriate collection stops critically affects hauling costs and service efficiency. Conventionally, MSW collection points are heuristically and manually chosen, resulting in a hauling system that is not as effective as intended in terms of location suitability and the number of collection points. The Shortest Service Location (SSL) model, which minimizes the sum of service distances, was therefore proposed in this study. The SSL model was compared with two other models for a local MSW pickup system problem. Using georeferenced graphs generated by a geographical information system (GIS) and related programs, the performance of the three models was compared according to walking distance to a service stop, the coverage of a service stop, and the number of service stops. The results show that the SSL solution can shorten walking distances by approximately 10% and reduce the overlap of service areas covered.

Conservation of Natural Resources↗
PubMed1982

[Comparison of the growth of subjects from 6 to 12 years of age in the province of Naples and the province of L'Aquila].

The authors studied weight, height and thoracic circumference of 419 children 6 to 12 years old who were born in Naples county. They transcribed data on special anthropometrical forms and computed arithmetical mean and standard deviation for every series of biometrical values. Then they plotted the graphs of growth-state obtaining so the growth curves. Comparing these graphs with those obtained by the same methods in children from L'Aquila of the same age, the following conclusions can be drawn: 1) Neapolitan children have a slight more increased growth with respect to children born in L'Aquila; 2) the growth of both groups is similar since the shape of their growth curves is overlapping.

Anthropometry↗
PubMed1998

Determination of piroxicam and its major metabolite 5-hydroxypiroxicam in human plasma by zero-crossing first-derivative spectrophotometry.

A zero-crossing first-derivative spectrophotometric method for the determination of piroxicam and its major metabolite 5-hydroxypiroxicam (5-HP) in human plasma is described. This technique permits the quantification of compounds with closely overlapping spectral bands without any separation step. The method consists of direct extraction of the less-ionised forms of piroxicam and 5-hydroxypiroxicam with pure diethyl ether. First derivative values at 343.5 and 332.5 nm for piroxicam and 5-HP, respectively, were obtained. The absolute recovery of the method was found to be 89.4% for piroxicam and 90.3% for 5-HP. Calibration graphs are linear (r better than 0.9998), with zero-intercept, in the concentration range 0.5-12.0 micrograms ml-1 for both compounds. The limits of quantification attained according to the IUPAC definition were 0.29 and 0.27 micrograms ml-1 for piroxicam and 5-HP, respectively. The results obtained by the proposed method were in good agreement with those found by the high-performance liquid chromatographic method (HPLC).

Chromatography, High Pressure Liquid↗
PubMed2003

Bio-array images processing and genetic networks modelling.

The new tools available for gene expression studies are essentially the bio-array methods using a large variety of physical detectors (isotopes, fluorescent markers, ultrasounds...). Here we present first rapidly an image-processing method independent of the detector type, dealing with the noise and with the peaks overlapping, the peaks revealing the detector activity (isotopic in the presented example), correlated with the gene expression. After this primary step of bio-array image processing, we can extract information about causal influence (activation or inhibition) a gene can exert on other genes, leading to clusters of genes co-expression in which we extract an interaction matrix M and an associated interaction graph G explaining the genetic regulatory dynamics correlated to the studied tissue function. We give two examples of such interaction matrices and graphs (the flowering genetic regulatory network of Arabidopsis thaliana and the lytic/lysogenic operon of the phage Mu) and after some theoretical rigorous results recently obtained concerning the asymptotic states generated by the genetic networks having a given interaction matrix and reciprocally concerning the minimal (in the sense of having a minimal number of non-zero coefficients) matrices having given stationary stable states.

Arabidopsis↗
PubMed2004

Cognitive navigation based on nonuniform Gabor space sampling, unsupervised growing networks, and reinforcement learning.

We study spatial learning and navigation for autonomous agents. A state space representation is constructed by unsupervised Hebbian learning during exploration. As a result of learning, a representation of the continuous two-dimensional (2-D) manifold in the high-dimensional input space is found. The representation consists of a population of localized overlapping place fields covering the 2-D space densely and uniformly. This space coding is comparable to the representation provided by hippocampal place cells in rats. Place fields are learned by extracting spatio-temporal properties of the environment from sensory inputs. The visual scene is modeled using the responses of modified Gabor filters placed at the nodes of a sparse Log-polar graph. Visual sensory aliasing is eliminated by taking into account self-motion signals via path integration. This solves the hidden state problem and provides a suitable representation for applying reinforcement learning in continuous space for action selection. A temporal-difference prediction scheme is used to learn sensorimotor mappings to perform goal-oriented navigation. Population vector coding is employed to interpret ensemble neural activity. The model is validated on a mobile Khepera miniature robot.

Cognition↗
PubMed1993

Identification of tertiary structure resemblance in proteins using a maximal common subgraph isomorphism algorithm.

A program called PROTEP is described that permits the rapid comparison of pairs of three-dimensional protein structures to identify the patterns of secondary structure elements that they have in common. The representation of the protein structures as labelled graphs, where the secondary structure elements in a protein and the spatial and angular relationships between them correspond to the nodes and edges of a graph, was developed for use with an earlier program, called POSSUM, which identified subgraph isomorphisms in protein structures. PROTEP takes this representation and uses a different and more flexible approach to locating structural patterns in pairs of proteins, using a maximal common subgraph isomorphism algorithm that is based on a clique detection procedure. A range of searches is described to demonstrate that areas of common structural overlap between protein structures taken from the Protein Data Bank can be identified both effectively and efficiently.

Algorithms↗
PubMed2002

Quantifying the similarities within fold space.

We have used GRATH, a graph-based structure comparison algorithm, to map the similarities between the different folds observed in the CATH domain structure database. Statistical analysis of the distributions of the fold similarities has allowed us to assess the significance for any similarity. Therefore we have examined whether it is best to represent folds as discrete entities or whether, in fact, a more accurate model would be a continuum wherein folds overlap via common motifs. To do this we have introduced a new statistical measure of fold similarity, termed gregariousness. For a particular fold, gregariousness measures how many other folds have a significant structural overlap with that fold, typically comprising 40% or more of the larger structure. Gregarious folds often contain commonly occurring super-secondary structural motifs, such as beta-meanders, greek keys, alpha-beta plait motifs or alpha-hairpins, which are matching similar motifs in other folds. Apart from one example, all the most gregarious folds matching 20% or more of the other folds in the database, are alpha-beta proteins. They also occur in highly populated architectural regions of fold space, adopting sandwich-like arrangements containing two or more layers of alpha-helices and beta-strands.Domains that exhibit a low gregariousness, are those that have very distinctive folds, with few common motifs or motifs that are packed in unusual arrangements. Most of the superhelices exhibit low gregariousness despite containing some commonly occurring super-secondary structural motifs. In these folds, these common motifs are combined in an unusual way and represent a small proportion of the fold (<10%). Our results suggest that fold space may be considered as continuous for some architectural arrangements (e.g. alpha-beta sandwiches), in that super-secondary motifs can be used to link neighbouring fold groups. However, in other regions of fold space much more discrete topologies are observed with little similarity between folds.

Algorithms↗
PubMed2006

Statistical mechanics of community detection.

Starting from a general ansatz, we show how community detection can be interpreted as finding the ground state of an infinite range spin glass. Our approach applies to weighted and directed networks alike. It contains the ad hoc introduced quality function from [J. Reichardt and S. Bornholdt, Phys. Rev. Lett. 93, 218701 (2004)] and the modularity Q as defined by Newman and Girvan [Phys. Rev. E 69, 026113 (2004)] as special cases. The community structure of the network is interpreted as the spin configuration that minimizes the energy of the spin glass with the spin states being the community indices. We elucidate the properties of the ground state configuration to give a concise definition of communities as cohesive subgroups in networks that is adaptive to the specific class of network under study. Further, we show how hierarchies and overlap in the community structure can be detected. Computationally efficient local update rules for optimization procedures to find the ground state are given. We show how the ansatz may be used to discover the community around a given node without detecting all communities in the full network and we give benchmarks for the performance of this extension. Finally, we give expectation values for the modularity of random graphs, which can be used in the assessment of statistical significance of community structure.

Journal Article↗
PubMed1994

Scatter diagram analysis: a new technique for discriminating ventricular tachyarrhythmias.

With the increasing flexibility allowed by implantable cardioverter defibrillators that use tiered therapy, it is important to match the therapy with the arrhythmia. In this article we present scatter diagram analysis, a new computationally efficient two-channel algorithm for distinguishing monomorphic ventricular tachycardia (VT) from polymorphic ventricular tachycardia and ventricular fibrillation (VF). Scatter diagram analysis plots the amplitude from one channel versus the amplitude from another channel on a graph with a 15 x 15 grid. The fraction (percentage) of the 225 grid blocks occupied by at least one sample point is then determined. We found that monomorphic VT traces nearly the same path in space and occupies a smaller percentage of the graph than a nonregular rhythm such as polymorphic VT or VF. Scatter diagram analysis was tested on 27 patients undergoing intraoperative implantable cardioverter defibrillator testing. Passages of 4.096 seconds were obtained from rate (bipolar epicardial) and morphology (patch) leads, and digitized at 125 Hz. Scatter diagram analysis distinguished 13 episodes of monomorphic VT (28.6% +/- 4.0%) from 27 episodes of polymorphic VT or VF (48.0% +/- 8.2%) with P < 0.0005. There was overlap in only one monomorphic VT episode and one polymorphic VT or VF episode.

Algorithms↗
PubMed2005

Comparative application of wavelet approaches to absorption and ratio spectra for the simultaneous determination of diminazene aceturate and phenazone in veterinary granules for injection.

A comparison of two wavelet approaches, Daubechies and reverse Biorthogonal, is described for the quantitative resolution of a binary mixture of diminazene aceturate (DIMA) and phenazone (PHE) in veterinary granules for injection without any chemical separation. These two approaches were specified as db4 (a = 180) and rbior3.7 (a = 125) respectively, after testing the signal analysis parameters for the overlapping absorption spectra and ratio spectra. In the first step db4 (a = 180) was applied to the original absorbance data vector of DIMA and PHE. In the second step rbio3.7 (a = 125) was applied to the ratio spectra data vectors of DIMA using the divisor PHE. The same approach was also subjected to the ratio spectra of PHE using the divisor DIMA. The db4 (a = 180) and rbior3.7 (a = 125) calibration graphs were constructed using the transformation values obtained in the wavelet domain. In the method validation, the wavelet calibration functions were tested using synthetic mixtures and the standard addition technique. The simultaneous quantitative analysis of DIMA and PHE in the commercial veterinary preparation was achieved by the elaborated methods. The assay results were compared with each other and good agreement was observed.

Algorithms↗
PubMedDate not supplied

Multicomponent quantitative resolution of binary mixtures by using continuous wavelet transform.

Continuous 1-dimensional wavelet transform (WT) was applied to the quantitative analysis of a vitamin combination of thiamine hydrochloride (THI) and pyridoxine hydrochloride (PYR) with strongly overlapping signals. Absorbance data from the UV-Vis absorption spectrum of width 1150 were subjected to Gauss1 and Gauss2 WTs. Because of its flexibility, data processing, and its high signal amplitude, the continuous WT method is a powerful tool for analysis of multicomponent mixtures. By measuring the amplitude signals corresponding to the selected zero-crossing points of the transformed signal, we obtained the calibration curve. The validation of the calibration graphs was confirmed with different mixtures of THI and PYR at various concentration ratios. A brief explanation of the continuous wavelet method is given. MATLAB 6.5 software was used to perform the calculations. The results of our study were compared with those obtained by spectroscopic, chemometric, and liquid chromatographic methods, and good agreement was found.

Calibration↗
PubMed2005

Clique percolation in random networks.

The notion of k-clique percolation in random graphs is introduced, where k is the size of the complete subgraphs whose large scale organizations are analytically and numerically investigated. For the Erdos-Rényi graph of N vertices we obtain that the percolation transition of k-cliques takes place when the probability of two vertices being connected by an edge reaches the threshold p(c) (k) = [(k - 1)N](-1/(k - 1)). At the transition point the scaling of the giant component with N is highly nontrivial and depends on k. We discuss why clique percolation is a novel and efficient approach to the identification of overlapping communities in large real networks.

Community Networks↗
PubMed2004

Fast accurate evaluation of protein solvent exposure.

Protein solvation energies are often taken to be proportional to solvent-accessible surface areas. Computation of these areas is numerically demanding and may become a bottleneck for folding and design applications. Fast graph-based methods, such as dead-end elimination (DEE), become possible if all energies, including solvation energies, are expressed as single-residue and pair-residue terms. To this end, Street and Mayo originated a pair-residue approximation for solvent-accessible surface areas (Street AG, Mayo SL. Pairwise calculation of protein solvent accessible surface areas. Fold Des 1998;3:253-258). The dominant source of error in this method is the overlapping burial of side-chain surfaces in the protein core. Here we report a new pair-residue approximation, which greatly reduces this overlap error by the use of optimized generic side-chains. We have tested the generic-side-chain method for the ten proteins studied by Street and Mayo and for 377 single-domain proteins from the CATH database (Orengo CA, Michie AD, Jones S, Jones DT, Swindells MB, Thornton JM. CATH-A hierarchic classification of protein domain structures. Structure 1997;5:1093-1108). With little additional cost in computation, the new method consistently reduces error for total areas and residue-by-residue areas by more than a factor of two. For example, the residue-by-residue error (for buried area) is reduced from 7.42 A(2) to 3.70 A(2). This difference translates into a solvation energy difference of approximately 0.2 kcal/mol per residue, amounting to a reduction in root-mean-square energy error of 2 kcal/mol for a 100 residue chain, a potentially critical difference for both protein folding and design applications.

Computational Biology↗
PubMed2003

Near-optimal configurations in mean-field disordered systems.

We present a general technique to compute how the energy of a configuration varies as a function of its overlap with the ground state in the case of optimization problems. Our approach is based on a generalization of the cavity method to a system interacting with its ground state. With this technique we study the random matching problem as well as the mean-field diluted spin glass. As a by-product of this approach we calculate the de Almeida-Thouless transition line of the spin glass on a fixed connectivity random graph.

Journal Article↗
PubMed2002

Validation of an indirect enzyme-linked immunosorbent assay for the detection of antibody against Brucella abortus in cattle sera using an automated ELISA workstation.

An automated indirect enzyme-linked immunosorbent assay (I-ELISA) for the serological diagnosis of bovine brucellosis was developed and validated in-house. A total of 4,803 cattle sera from South Africa (n = 3,643), Canada (n = 652), Germany (n = 240), France (n = 73) and the USA (n = 195) was used. The South African panel of sera represented 834 sera known to be positive by the Rose Bengal test (RBT), serum agglutination test (SAT) and complement fixation test (CFT), 2709 sera that were negative by CFT, and 100 sera from animals vaccinated with a standard dose of Brucella abortus strain 19. Overseas sera were obtained from reference non-vaccinated brucella-free cattle (n = 834), naturally infected (n = 72), experimentally infected (n = 71), and vaccinated animals (n = 83). Also 100 sera collected from cattle in Canada and known to be positive by competitive ELISA (C-ELISA) were used. The intermediate ranges ("borderline" range for the interpretation of test results) were derived from two-graph receiver operating characteristics analysis. The lowest values of the misclassification cost-term analysis obtained from testing overseas panels, covered lower I-ELISA cut-off PP values (0.02-3.0) than those from local panels (1.5-5.0). The relatively low cut-off PP values selected for I-ELISA were due to the fact that the positive control used represents a very strong standard compared to other reference positive sera. The greater overlap found between negative and positive cattle sera from South Africa than that between reference overseas panels was probably due to the different criteria used in classifying these panels as negative (sera from true non-diseased/non-infected animals) or positive (sera from true diseased/infected animals). The diagnostic sensitivity of the I-ELISA (at the optimum cut-off value) was 100% and of the CFT 83.3%. The diagnostic specificity of I-ELISA was 99.8% and of the CFT 100%. Estimate of Youden's index was higher for the I-ELISA (0.998) than that for the CFT (0.833). Analysis of distribution of PP values in sera from vaccinated and naturally infected cattle shows that in vaccinated animals all readings were below 31 PP where in infected ones these values represented 43%. Therefore, it appears that I-ELISA could be of use in identifying some naturally infected animals (with values > 31 PP), but more sera from reference vaccinated and infected animals need to be tested to further substantiate this statistically. Of 834 sera positive by RBT, SAT and CFT, 825 (98.9%) were positive in the I-ELISA. Compared to C-ELISA the relative diagnostic sensitivity of the I-ELISA was 94% and of the CFT 88% when testing 100 Canadian cattle sera. Of 258 South African cattle sera, of which 183 (70.9 %) were positive by the I-ELISA and 148 (57.4 %) by the CFT, 197 (76.4%) were positive by C-ELISA when re-tested in Canada. One has to stress, however, that Canadian C-ELISA has not been optimised locally. Thus, the C-ELISA was probably not used at the best diagnostic threshold for testing South African cattle sera. This study shows that the I-ELISA performed on an automated ELISA workstation provides a rapid, simple, highly sensitive and specific diagnostic system for large-scale detection of antibodies against B. abortus. Based on the diagnostic accuracy of this assay reported here, the authors suggest that it could replace not only the currently used confirmatory CFT test, but also the two in-use screening tests, namely the RBT and SAT.

Agglutination Tests↗
PubMed1979

Quantitative analysis of two-dimensional electrophoretograms.

A method for quantitative analysis of complex film density distributions in autoradiograms is described. The method is intended particularly for measuring the distribution of radioactivity among the proteins resolved by two-dimensional gel electrophoresis but should, of course, be suited to analyzing other two dimensional separations. The film density distribution is first digitized by a high speed rotating drum scanner to generate the image data array that is stored on a magnetic disk. Subsequent analysis involves: 1) data averaging, 2) detection of contours and of their locations, 3) splitting of overlapping spots, 4) conversion of film density to radioactive intensity by means of calibration films, and 5) differentiation and integration to measure the total radioactivity contained in the protein which generates a spot in the autoradiogram. The product of the analysis is a numbered contour map and a table listing coordinates and radioactivity content of each resolved spot. Coordinate transformations for comparison and matching of autoradiograms are also described. A set of utility programs print and graph the data at intermediate stages of the analysis in order to facilitate the checking of procedures and programs.

Autoradiography↗