Diffusion tensor analysis with invariant gradients and rotation tangents

Guided by empirically established connections between clinically important tissue properties and diffusion tensor parameters, we introduce a framework for decomposing variations in diffusion tensors into changes in shape and orientation. Tensor shape and orientation both have three degrees-of-freedom, spanned by invariant gradients and rotation tangents, respectively. As an initial demonstration of the framework, we create a tunable measure of tensor difference that can selectively respond to shape and orientation. Second, to analyze the spatial gradient in a tensor volume (a third-order tensor), our framework generates edge strength measures that can discriminate between different neuroanatomical boundaries, as well as creating a novel detector of white matter tracts that are adjacent yet distinctly oriented. Finally, we apply the framework to decompose the fourth-order diffusion covariance tensor into individual and aggregate measures of shape and orientation covariance, including a direct approximation for the variance of tensor invariants such as fractional anisotropy.     

Uranium deposition in a weathered fractured saprolite/shale

Chemical analysis and scanning electron microscopy (SEM) microanalysis were carried out on cores of contaminated geological material collected around four closed waste disposal ponds to examine the extent of nitric acid extractable U (U(NA)) association with P, S, and extractable Fe, Al, and Mn oxides within deeply weathered fractured shale. The solid phase in many regimes on the site has been exposed to highly buffered acidic (< 3.5) groundwater and has been aggressively weathered. Higher correlations occur between U(NA) and total P and S (r2 = 0.76, 0.69, respectively), citrate bicarbonate dithionite extractable Fe (Fed) and Al (Ald) (r2 = 0.87, 0.80, respectively), and acid oxalate extractable or amorphous/poorly crystalline Fe (Feo) (r2 = 0.63) in core material from a field plot known as Area 1 compared to core material from another field plot known as Area 3. In Area 3 core material, linear regression analysis of U(NA) and total P and S, and Fed, Ald and Feo gave r2 values of 0.67, 0.4, 0.06, 0.24, and 0.45, respectively. These results showed similar relationships with SEM-wavelength dispersive spectroscopy (WDS) mapping of this material. It is noteworthy that Area 1 geological material has not been as aggressively weathered as Area 3 material due to its physical location from the waste source. In all of the cores, most of the Fe and Al oxides were crystalline, while most of the Mn oxides were amorphous. The greater adsorption and/or fixation of anion complexes of P-U (uranium phosphate) and S onto Fe and Al oxides from Area 1 cores compared to Area 3 core material is probably due to a higher amount of crystalline Fe and Al oxides compared to amorphous Fe and Al oxides and higher Al substitution in Fe oxides in Area 1. This unique study illustrates the relationships between U(NA), total P and S, and Al, Fe and Mn oxides in fractured shale under field conditions which can be used in planning remediation of this site and other similar sites.     

Methodical approaches to usage of complex anthropometric methods in clinical practice

The new methodical approach of complex anthropometric study in clinical practice has been proposed for evaluation of nutritional state, dyagnostics and effectiveness of dietotherapy of patients with alimentary-depended pathology. The technique of body's voluminous size measurements, adipose folds measurements by means of caliper, extremities diameter measurements has been described, which would allow to receive more precise data during patients examinations. Formulas which allow to calculate the amount of bone, muscular and adipose mass been provided.     

Dietary patterns analysis using data mining method. An application to data from the CYKIDS study

Data mining is a computational method that permits the extraction of patterns from large databases. We applied the data mining approach in data from 1140 children (9-13years), in order to derive dietary habits related to children's obesity status. Rules emerged via data mining approach revealed the detrimental influence of the increased consumption of soft dinks, delicatessen meat, sweets, fried and junk food. For example, frequent (3-5times/week) consumption of all these foods increases the risk for being obese by 75%, whereas in children who have a similar dietary pattern, but eat >2times/week fish and seafood the risk for obesity is reduced by 33%. In conclusion patterns revealed from data mining technique refer to specific groups of children and demonstrate the effect on the risk associated with obesity status when a single dietary habit might be modified. Thus, a more individualized approach when translating public health messages could be achieved.     

Quantitative GC-ECD Analysis of Halogenated Metabolites: Determination of Surface and Within-Thallus Elatol of Laurencia obtusa

Information on natural concentrations or variability of secondary metabolites in marine organisms may be important both to ecological/evolutionary and applied approaches. A gas chromatographic procedure with an electron capture detector (GC-ECD) was developed to quantify the sesquiterpenoid elatol at the surface and within-thalli of 70 specimens of the red seaweed Laurencia obtusa. The concentration of elatol was highest within-thalli [9.89 mg g⁻¹ of L. obtusa, dry weight (d.w.)], compared to lower values found at the surface [0.006 mg g⁻¹ of L.obtusa (d.w.), or 0.5–10.0 ng cm⁻²]. This method provides a rapid and inexpensive quantification of small quantities of elatol, and probably may also be used to quantify other halogenated compounds usually found in red seaweeds.     

Arrhenius plot for a reaction catalyzed by a single molecule of β-galactosidase

The activity of a single enzyme molecule of Escherichia coli β-galactosidase was measured using a capillary electrophoresis continuous flow assay. As the enzyme molecule traversed the capillary the incubation temperature was increased from 27 to 37 °C, providing a continuous record of the change in rate with temperature. This data was used to develop a single enzyme molecule Arrhenius plot, from which the activation energy of the reaction was determined to be 31 kJ mol(-1).     

Multiply Methyl-Branched Fatty Acids and Diacids in the Polar Lipids of a Microaerophilic Subsurface Microbial Community

A previously unreported series of di- and tri-methylated fatty acids, as well as saturated and monounsaturated diacids were identified in polar lipids isolated from environmental subsurface sediment samples. Mechanisms are proposed for their formation, but their origin and role in cell membranes remains unknown.     

Real-time detection and identification of aqueous chlorine transformation products using QTOF MS

A screening technique has been developed that allows the rapid, real-time detection and identification of major transformation products of organic contaminants during aqueous oxidation experiments. In this technique, a target contaminant is dissolved in buffered water and chlorinated by the addition of sodium hypochlorite to give a free chlorine residual of 3 mg/L. Solution from the reaction vessel is combined with methanol and pumped directly into the electrospray ionization source of a quadrupole time-of-flight mass spectrometer (QTOF MS). The real-time decay of the target contaminant and the formation/decay of transformation products are then monitored using the QTOF MS. Subsequently, accurate mass measurements with internal mass calibration (<5 ppm mass error) and product ion scans are employed to identify these transformation products. Unlike other techniques, it requires no liquid chromatography, derivatization, or quenching of residual chlorine, all of which can interfere with transformation product analysis. To validate the technique, aqueous chlorination experiments were performed on triclosan, a previously studied environmental contaminant. Earlier research showing that triclosan underwent chlorine addition to form mono- and dichlorinated transformation products was successfully reproduced, demonstrating the feasibility of the technique. In addition, the technique revealed the formation of a stable oxygen radical-containing transformation product resulting from the oxidation of either mono- or dichlorinated triclosan. This triclosan transformation product was determined to have an empirical formula of C12H4O3Cl4 with 3.9 ppm mass error. Furthermore, atorvastatin, a commonly prescribed medication and environmental contaminant, was subjected to aqueous chlorination and studied with the technique. Atorvastatin underwent hydroxylation to form two transformation products with the empirical formulas C33H34FN2O6 (1.8 ppm mass error) and C26H29O5NF (2.9 ppm mass error).     

Dynamic infrared study of polyphenylene sulfide using planar array infrared spectroscopy

Planar array infrared (PA-IR) spectroscopy was used to study polyphenylene sulfide (PPS) at room temperature during the application of a sinusoidal elastic deformation. All of the intensity in the dynamic spectra was contained within the in-phase spectrum, which was expected since the measurements were carried out at room temperature, far below the glass transition temperature. The contributions of chain orientation, sample thinning, and stress-induced band shifts were separated in the dynamic spectra. It was found that the effects of chain orientation and sample thinning canceled each other out. Stress-induced band shifts far below the spectral resolution, on the order of 0.01 cm(-1), were quantified and used to calculate the stress optical coefficients and mode Gruneisen parameters for PPS.