A phase field approach for multivariant martensitic transformations of stable and metastable phases

A phase field model approach for multivariant martensitic transformations of stable and metastable phases is introduced. The evolution of the microstructure is examined with respect to elastic energy minimization in which one or two martensitic orientation variants are considered. In this context, the martensitic nucleation behavior is simulated for different activation barriers. Furthermore, the influence of time-dependent external loads on the formation of the different phases is studied. The numerical implementation is performed with finite elements and an implicit time integration scheme.     

An improved automatic time-of-flight picker for medical ultrasound tomography

Objective and motivationTime-of-flight (TOF) tomography used by a clinical ultrasound tomography device can efficiently and reliably produce sound-speed images of the breast for cancer diagnosis. Accurate picking of TOFs of transmitted ultrasound signals is extremely important to ensure high-resolution and high-quality ultrasound sound-speed tomograms. Since manually picking is time-consuming for large datasets, we developed an improved automatic TOF picker based on the Akaike information criterion (AIC), as described in this paper.MethodsWe make use of an approach termed multi-model inference (model averaging), based on the calculated AIC values, to improve the accuracy of TOF picks. By using multi-model inference, our picking method incorporates all the information near the TOF of ultrasound signals. Median filtering and reciprocal pair comparison are also incorporated in our AIC picker to effectively remove outliers.ResultsWe validate our AIC picker using synthetic ultrasound waveforms, and demonstrate that our automatic TOF picker can accurately pick TOFs in the presence of random noise with absolute amplitudes up to 80% of the maximum absolute signal amplitude. We apply the new method to 1160 in vivo breast ultrasound waveforms, and compare the picked TOFs with manual picks and amplitude threshold picks. The mean value and standard deviation between our TOF picker and manual picking are 0.4 μs and 0.29 μs, while for amplitude threshold picker the values are 1.02 μs and 0.9 μs, respectively. Tomograms for in vivo breast data with high signal-to-noise ratio (SNR) (∼25 dB) and low SNR (∼18 dB) clearly demonstrate that our AIC picker is much less sensitive to the SNRs of the data, compared to the amplitude threshold picker.Discussion and conclusionsThe picking routine developed here is aimed at determining reliable quantitative values, necessary for adding diagnostic information to our clinical ultrasound tomography device - CURE. It has been successfully adopted into CURE, and allows us to generate such values reliably. We demonstrate that in vivo sound-speed tomograms with our TOF picks significantly improve the reconstruction accuracy and reduce image artifacts.     

Integration of auditory and vibrotactile stimuli: effects of frequency

Perceptual integration of vibrotactile and auditory sinusoidal tone pulses was studied in detection experiments as a function of stimulation frequency. Vibrotactile stimuli were delivered through a single channel vibrator to the left middle fingertip. Auditory stimuli were presented diotically through headphones in a background of 50 dB sound pressure level broadband noise. Detection performance for combined auditory-tactile presentations was measured using stimulus levels that yielded 63% to 77% correct unimodal performance. In Experiment 1, the vibrotactile stimulus was 250 Hz and the auditory stimulus varied between 125 and 2000 Hz. In Experiment 2, the auditory stimulus was 250 Hz and the tactile stimulus varied between 50 and 400 Hz. In Experiment 3, the auditory and tactile stimuli were always equal in frequency and ranged from 50 to 400 Hz. The highest rates of detection for the combined-modality stimulus were obtained when stimulating frequencies in the two modalities were equal or closely spaced (and within the Pacinian range). Combined-modality detection for closely spaced frequencies was generally consistent with an algebraic sum model of perceptual integration; wider-frequency spacings were generally better fit by a Pythagorean sum model. Thus, perceptual integration of auditory and tactile stimuli at near-threshold levels appears to depend both on absolute frequency and relative frequency of stimulation within each modality.     

A correlation study of Li ground state by the MCHF procedure

Results are reported for multiconfiguration Hartree–Fock studies of correlation in the lithium ground state, which maintain orthogonality of orbitals within a configuration. It is shown that when the 1s- and 2s-orbitals are fixed at their Hartree–Fock value, configurations for which Brillouin's theorem holds may be important, particularly for atomic properties other than energy. The Fermi contact term is considered as an example.     

Travelling wave ion mobility mass spectrometry studies of protein structure: biological significance and comparison with X-ray crystallography and nuclear magnetic resonance spectroscopy measurements

The three-dimensional conformation of a protein is central to its biological function. The characterisation of aspects of three-dimensional protein structure by mass spectrometry is an area of much interest as the gas-phase conformation, in many instances, can be related to that of the solution phase. Travelling wave ion mobility mass spectrometry (TWIMS) was used to investigate the biological significance of gas-phase protein structure. Protein standards were analysed by TWIMS under denaturing and near-physiological solvent conditions and cross-sections estimated for the charge states observed. Estimates of collision cross-sections were obtained with reference to known standards with published cross-sections. Estimated cross-sections were compared with values from published X-ray crystallography and nuclear magnetic resonance (NMR) spectroscopy structures. The cross-section measured by ion mobility mass spectrometry varies with charge state, allowing the unfolding transition of proteins in the gas phase to be studied. Cross-sections estimated experimentally for proteins studied, for charge states most indicative of native structure, are in good agreement with measurements calculated from published X-ray and NMR structures. The relative stability of gas-phase structures has been investigated, for the proteins studied, based on their change in cross-section with increase in charge. These results illustrate that the TWIMS approach can provide data on three-dimensional protein structures of biological relevance.     

Oxidation of isobutane catalyzed by vanadyl, copper and cesium substituted H3PMo12O40

Effects of Cs⁺, H⁺ and Cu²⁺ counterions in the vanadium containing heteropoly compounds Cs_xH_1-xVO[PMo₁₂O₄₀] and Cs_yH_0.5-yCu_0.25VO[PMo₁₂O₄₀] on the catalytic oxidation of isobutane and characterization by TGA, IR and ESR spectroscopies are reported. A high selectivity of 76% for methacrylic acid and methacrolein together has been obtained with Cs_0.75H_0.25VO[PMo₁₂O₄₀] catalysts at a reactivity of 5.3x10^-1 mmol/h cm³.     

Interstrain Variability of Human Vaginal Lactobacillus crispatus for Metabolism of Biogenic Amines and Antimicrobial Activity against Urogenital Pathogens

Lactobacillus crispatus is the dominant species in the vagina of many women. With the potential for strains of this species to be used as a probiotic to help prevent and treat dysbiosis, we investigated isolates from vaginal swabs with Lactobacillus-dominated and a dysbiotic microbiota. A comparative genome analysis led to the identification of metabolic pathways for synthesis and degradation of three major biogenic amines in most strains. However, targeted metabolomic analysis of the production and degradation of biogenic amines showed that certain strains have either the ability to produce or to degrade these compounds. Notably, six strains produced cadaverine, one produced putrescine, and two produced tyramine. These biogenic amines are known to raise vaginal pH, cause malodour, and make the environment more favourable to vaginal pathogens. In vitro experiments confirmed that strains isolated from women with a dysbiotic vaginal microbiota have higher antimicrobial effects against the common urogenital pathogens Escherichia coli and Enterococcus faecium. The results indicate that not all L. crispatus vaginal strains appear suitable for probiotic application and the basis for selection should not be only the overall composition of the vaginal microbiota of the host from which they came, but specific biochemical and genetic traits.