Search PubMed⌕ Search

SEARCH · Search PubMed

Results for “Data Analytics”

Search indexed PubMed citations on genomics, clinical trials, systematic reviews and public health. Explore titles, authors and supplied subject terms, then open the PubMed record.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,675 records · Page 93Linked to original sources

Multi-gas sensing based on photoacoustic spectroscopy using tunable laser diodes.

Multi-hydrogenated compounds detection based on photoacoustic (PA) spectroscopy is reported. Three near-infrared semiconductor lasers are used with a resonant PA cell operated in its first longitudinal mode to monitor methane, water vapour and hydrogen chloride in the parts per million range. The design of our cell results from simulations performed in order to optimise its performances. Influence of the buffer gas on the PA signal has also been analysed, both theoretically and experimentally. A reduction of the PA signal of almost one order of magnitude has been observed between N(2) and He, which demonstrates the importance of the buffer gas in PA spectroscopy. Finally, detection limits of 0.5 ppm of CH(4) and 3 ppm of HCl has been achieved experimentally in nitrogen and an H(2)O sensitivity of 0.2 ppm has been estimated.

Chemistry Techniques, Analytical↗

Photo-acoustic measurements of gas and aerosol absorption with diode lasers.

The results of designing multipurpose high-sensitive photo-acoustic (PA) detectors and their application to high-resolution diode laser spectroscopy of molecular gases, gas analysis, and aerosol absorption measurements are summarized in this paper. The hardware and software of the diode laser spectrometer with a Helmholtz resonant PA detector providing an absorption sensitivity limit of better than 10(-7)Wm(-1)Hz(-1/2) are described. A procedure is proposed for an experiment involving the measurements of the rotational structure of hot vibrational bands of molecules. The results of the application of the nonresonant PA cell with temporal resolution of signals to measurements of weak nonresonant absorption of gases and soot aerosols are presented, and the possibility of creating a broad-band PA laser diode aerosol-meter is discussed.

Chemistry Techniques, Analytical↗

Biophysical characterization of the influence of salt on tetrameric SecB.

SecB is a tetrameric chaperone, with a monomeric molecular mass of 17 kDa, that is involved in protein translocation in Escherichia coli. It has been hypothesized that SecB undergoes a conformational change as a function of the salt concentration. To gain more insight into the salt-dependent behavior of SecB, we studied the protein in solution by dynamic light scattering, size exclusion chromatography, analytical ultracentrifugation, and small angle neutron scattering. The results clearly demonstrate the large influence of the salt concentration on the behavior of SecB. At high salt concentration, SecB is a non-spherical protein with a radius of gyration of 3.4 nm. At low salt concentration the hydrodynamic radius of the protein is apparently decreased, whereas the ratio of the frictional coefficients is increased. The protein solution behaves in a non-ideal way at low salt concentrations, as was shown by the analytical ultracentrifugation data and a pronounced interparticle effect observed by small angle neutron scattering. A possible explanation is a change in surface charge distribution dependent on the salt concentration in the solvent. We summarize our data in a model for the salt-dependent conformation of tetrameric SecB.

Bacterial Proteins↗

Reaction rate and collisional efficiency of the rhodopsin-transducin system in intact retinal rods.

A model of transducin activation is constructed from its partial reactions (formation of metarhodopsin II, association, and dissociation of the rhodopsin-transducin complex). The kinetic equations of the model are solved both numerically and, for small photoactivation, analytically. From data on the partial reactions in vitro, rate and activation energy profile of amplified transducin turnover are modeled and compared with measured light-scattering signals of transducin activation in intact retinal rods. The data leave one free parameter, the rate of association between transducin and rhodopsin. Best fit is achieved for an activation energy of 35 kJ/mol, indicating lateral membrane diffusion of the proteins as its main determinant. The absolute value of the association rate is discussed in terms of the success of collisions to form the catalytic complex. It is greater than 30% for the intact retina and 10 times lower after permeabilization with staphylococcus aureus alpha-toxin. Dissociation rates for micromolar guanosinetriphosphale (GTP) (Kohl, B., and K. P. Hofmann, 1987. Biophys. J. 52:271-277) must be extrapolated linearly up to the millimolar range to explain the rapid transducin turnover in situ. This is interpreted by an unstable rhodopsin-transducin-GTP transient state. At the time of maximal turnover after a flash, the rate of activation is determined as 30, 120, 800, 2,500, and 4,000 activated transducins per photoactivated rhodopsin and second at 5, 10, 20, 30, 37 degrees C, respectively.

Adenosine Diphosphate↗

Electrostatic forces contribute to interactions between trp repressor dimers.

The trp repressor of Escherichia coli (TR), although generally considered to be dimeric, has been shown by fluorescence anisotropy of extrinsically labeled protein to undergo oligomerization in solution at protein concentrations in the micromolar range (Fernando, T., and C. A. Royer 1992. Biochemistry. 31:3429-3441). Providing evidence that oligomerization is an intrinsic property of TR, the present studies using chemical cross-linking, analytical ultracentrifugation, and molecular sieve chromatography demonstrate that unmodified TR dimers form higher order aggregates. Tetramers and higher order species were observed in chemical cross-linking experiments at concentrations between 1 and 40 microM. Results from analytical ultracentrifugation and gel filtration chromatography were consistent with average molecular weight values between tetramer and dimer, although no plateaus in the association were evident over the concentration ranges studied, indicating that higher order species are populated. Analytical ultracentrifugation data in presence of corepressor imply that corepressor binding destabilizes the higher order aggregates, an observation that is consistent with the earlier fluorescence work. Through the investigation of the salt and pH dependence of oligomerization, the present studies have revealed an electrostatic component to the interactions between TR dimers.

Bacterial Proteins↗

Sedimentation analysis of noninteracting and self-associating solutes using numerical solutions to the Lamm equation.

The potential of using the Lamm equation in the analysis of hydrodynamic shape and gross conformation of proteins and reversibly formed protein complexes from analytical ultracentrifugation data was investigated. An efficient numerical solution of the Lamm equation for noninteracting and rapidly self-associating proteins by using combined finite-element and moving grid techniques is described. It has been implemented for noninteracting solutes and monomer-dimer and monomer-trimer equilibria. To predict its utility, the error surface of a nonlinear regression of simulated sedimentation profiles was explored. Error contour maps were calculated for conventional independent and global analyses of experiments with noninteracting solutes and with monomer-dimer systems at different solution column heights, loading concentrations, and centrifugal fields. It was found that the rotor speed is the major determinant for the shape of the error surface, and that global analysis of different experiments can allow substantially improved characterization of the solutes. We suggest that the global analysis of the approach to equilibrium in a short-column sedimentation equilibrium experiment followed by a high-speed short-column sedimentation velocity experiment can result in sedimentation and diffusion coefficients of very high statistical accuracy. In addition, in the case of a protein in rapid monomer-dimer equilibrium, this configuration was found to reveal the most precise estimate of the association constant.

Biophysical Phenomena↗

Macrocycle conformation and self-inclusion phenomena in octakis(3-O-butanoyl-2,6-di-O-pentyl)-gamma-cyclodextrin (Lipodex E) by NMR spectroscopy and molecular dynamics.

Octakis(3-O-butanoyl-2,6-di-O-pentyl)-gamma-cyclodextrin (Lipodex E) is a lipophilic chiral selector successfully used for the enantioselective gas chromatographic separation of a multitude of racemic analytes. NMR data (13C chemical shifts, 3J(HH), rotating frame NOEs (ROEs)) and molecular dynamics (MD) simulations point out that the macrocycle is distorted with respect to the canonical truncated-cone shape of native cyclodextrins, although C(8) symmetry is retained on the NMR timescale. ROE data and MD trajectories provide evidence for self-inclusion of one 6-O-pentyl pendant chain within the cavity of Lipodex E. The interpretation of long-range and low-intensity ROEs is supported by the calculation of average internuclear distances by using the radial distribution function (RDF) calculated from MD trajectories. MD simulations are eventually used to compare the flexibility of the macrocycle of Lipodex E with that of native gammaCD.

Computer Simulation↗

Specimen banking--a planning in advance.

The future value and usefulness of a Specimen Banking Programme is dependent on the way we select the material to be saved and the way we save it. If the material consists of non-representative samples or samples from which we cannot produce a set of analytical chemical data that allows us to make a proper statistical analysis, then the data merely provides us with anecdotal information. Experience as well as studies of large data sets have taught us that poor research material gives us poor understanding and knowledge. We know in advance that some questions will be important in the future. Of these, spatial and temporal changes in environmental contamination are high on the list. What priorities should we set and what kind of selection criteria should we use to create useful collections in the specimen banks? This paper will discuss some of the qualities samples must possess if they are to be included in a specimen bank.

Animals↗

Determination of ephedrines in urine by gas chromatography-mass spectrometry.

A selective gas-liquid chromatographic method with mass spectrometry (GC-MS) for the simultaneous confirmation and quantification of ephedrine, pseudo-ephedrine, nor-ephedrine, nor-pseudoephedrine, which are pairs of diastereoisomeric sympathomimetic amines, and methyl-ephedrine was developed for doping control analysis in urine samples. O-Trimethylsilylated and N-mono-trifluoroacetylated derivatives of ephedrines--one derivative was formed for each ephedrine--were prepared and analyzed by GC-MS, after alkaline extraction of urine and evaporation of the organic phase, using d3-ephedrine as internal standard. Calibration curves, with r2>0.98, ranged from 3.0 to 50 microg/ml depending on the analyte. Validation data (specificity, % RSD, accuracy, and recovery) are also presented.

Calibration↗

Crystal structure of the extracellular domain from P0, the major structural protein of peripheral nerve myelin.

P0, the major protein of peripheral nerve myelin, mediates membrane adhesion in the spiral wraps of the myelin sheath. We have determined the crystal structure of the extracellular domain from P0 (P0ex) at 1.9 A resolution. P0ex is folded like a typical immunoglobulin variable-like domain; five residues at the C-terminus are disordered, suggesting a flexible linkage to the membrane. The requirements for crystallization of P0ex are similar to those for maintaining the native extracellular spacing of adjacent myelin lamellae; thus, given the self-adhesive character of P0ex, the crystal itself may reveal some of the natural interactions that occur between P0 molecules in myelin. The structure leads to the suggestion that P0 extracellular domains may emanate from the membrane surface as tetramers that link to tetramers on the opposing membrane surface, to result in the formation of networks of molecules. We report analytical ultracentrifugation data for P0ex that support this idea.

Animals↗

Development of computerised procedures for the characterisation of the tableting properties with eccentric machines: extended Heckel analysis.

Heckel plots are a suitable and valuable method for analysis of powder compaction with very small amounts of powder. The determination is based upon a non-linear transformation of compression data and thus the signal errors that might be introduced into the analysis might be enlarged and become critical. The method of determination of true density affects the results dramatically as does the accuracy of the powder height determination. The porosity should be corrected for compression of the solid fraction. The accuracy of the powder height detection is the most demanding parameter. The statements are proven by simulations based on real data and analytic calculation. According to these highly corrected Heckel plots, the shape of the plots during the compression phase gives the information about fragmentation and plasticity and additionally about the time dependency of the compression behaviour within one compression on an eccentric press.

Algorithms↗

Sedimentation velocity spins a new weave for an old fabric.

Sedimentation velocity analysis is a powerful tool for the investigation of biological macromolecules under a wide range of solution conditions. If carefully applied, it can be an effective tool for the characterization of interacting systems in solution. It is rapidly becoming a method of choice among the biotechnology community. In recent years, there have been notable advances in the ease of acquisition and analysis of analytical ultracentrifugation data.

Journal Article↗

A Rubredoxin based system for screening of protein expression conditions and on-line monitoring of the purification process.

Rubredoxin (Rub) from Thermotoga maritima, a 6.1-kDa red protein containing an Fe(III)-cysteine(4) center, was evaluated for its usefulness as a colored fusion tag for expression of recombinant proteins in E. coli. Here, we describe the Rub features relevant to accelerating screening for optimal high yield soluble expression conditions and automating the ensuing purification process. Spectroscopic properties and the yield of Rub fused to a typical target protein were compared to analogous GFP and Flavodoxin constructs, showing Rub absorption to be sufficient for structural genomics purposes while being produced at much higher soluble levels than GFP constructs. Based entirely on Rub absorption at 380 nm, both generic and affinity purification of crude cell lysate were performed: thus guided anion exchange purification of a Rub fusion construct as well as automated Ni-NTA purification resulted in pure protein. Rub is stable over a wide range of pH, temperature, and buffer environments, enabling robust purification protocols. Across a variety of fusion constructs, including N- and C-terminal Rub, quantitation via the Rub signal was shown to reliably correlate with analytical HPLC data obtained at 220 nm. We propose the "RubyTag" as an alternative to conventional protein fusion tags, as it combines a specific absorption signal with convenient biochemical and biological properties. Further, it allows direct on-line readout on conventional chromatography systems, holding promise for automated multi-step chromatography.

CD11 Antigens↗

Analytical pharmacology of G protein-coupled receptors by stoichiometric expression of the receptor and G(alpha) protein subunits.

The description of a new family of recombinant proteins, which are constructed by the covalent fusion of the cDNA encoding a G protein-coupled receptor with that of a G(alpha) protein subunit, has recently been introduced as an original strategy to explore receptor pharmacology under defined experimental conditions. As such, a controlled 1:1 stoichiometry of receptor and G(alpha) protein expression can be achieved, as well as a forced spatial proximity to each other. Fusion proteins have been revealed as active at the receptor ligand binding level and functional at the G(alpha) protein and effector level. Insights on analytical pharmacological data are discussed for wild-type and mutant receptors interacting with a given G(alpha) protein subunit and different subtypes of either wild-type or mutant G(alpha) proteins activated by a single receptor subtype. A possible alteration of the receptor:G(alpha) protein selectivity may occur due either to the spatial proximity of both protein partners or to a constraint receptor state unable to accommodate to different G(alpha) protein states. Coactivation of endogenous G(alpha) proteins in host cells expressing a fusion protein has also been observed, but depends mainly on the coupling efficiency of the receptor and G(alpha) protein engaged in the fusion process. The ligand's apparent intrinsic activity has been shown to be either enhanced, attenuated, or unmodified when the functional responses of a fusion protein are compared to the coexpression of both fusion protein partners.

Animals↗

[Diagnostic test in emergency departments for bacterial infections in infants younger than 12 months].

OBJECTIVE: To evaluate clinical and analytic numeric data that may help the emergency departments to identify bacterial infections in infants. PATIENTS AND METHODS: A retrospective study of 430 infants with bacterial growth in cultures (culture from blood, 30; urine, 207; stools, 193, and/or cerebrospinal fluid, n 25) was performed. These patients were compared with a control group (n 430), randomly selected from patients aged less than 12 months with negative cultures who were hospitalized with suspected infection. Neonates and surgical patients were excluded from both groups. Statistical analysis was performed using Student's t-test for independent samples, Levene's test for the study of equality of variances, bivariate correlation and one-factor ANOVA, and receiver-operating characteristic (ROC) curves and odds ratios were calculated when statistically significant (p < 0.05) results were obtained. These analyses were performed using the SPSS 10.0 statistical software package. RESULTS: Of the infants admitted to the pediatric unit, 11.7 % had at least one positive bacterial culture. Temperature (p 0.005), leucocyte count (p 0.003), percentage of neutrophils (p < 0.0001) and C-reactive protein (p < 0.0001) were significantly higher in infants with positive cultures. In invasive infections significant differences were found in sex (more frequent in males) (p 0.03), heart rate (p < 0.0001) and respiratory rate (p 0.003). In the ROC curves, the best diagnostic yield was obtained for C-reactive protein (0.93 for a cutoff value of 29 mg/l, 86 % specificity and 91 % sensitivity). CONCLUSION: C-reactive protein is essential for diagnosis of bacterial infection in infants in the emergency department.

Bacterial Infections↗