Natural product dimers have intriguing structural features and often have remarkable pharmacological activities. We report here two uncommon marine gorgonian-derived symmetric dimers, weizhouochrones A (1) and B (2), with indenone-derived monomers, that were isolated from the coral Anthogorgia ochracea collected from the South China Sea. These dimers are difficult targets for structure elucidation that solely relies upon conventional NMR data such as NOEs and J-couplings. Here, to explore the application of emerging methods on the structure elucidation of challenging molecules, we explored a number of different anisotropic and computational NMR approaches. The measurements of anisotropic NMR parameters of weizhouochrone A, including residual dipolar couplings (RDCs) and residual chemical shift anisotropy (RCSA), allowed us to successfully determine the planar structure and its relative configuration. This result was corroborated by a computational NMR analysis based on DP4+ probability and computer-assisted 3D structure elucidation (CASE-3D).

A combination of solid-state NMR methods for the extraction of 23Na shift and quadrupolar parameters in the as-synthesized, structurally complex NaMnO2 Na-ion cathode material, under magic-angle spinning (MAS) is presented. We show that the integration of the Magic-Angle Turning experiment with Rotor-Assisted Population transfer (RAPT) can be used both to identify shifts and to extract a range of magnitudes for their quadrupolar couplings. We also demonstrate the applicability of the two-dimensional one pulse (TOP) based double-sheared Satellite Transition Magic-Angle Spinning (TOP-STMAS) showing how it can yield a spectrum with separated shift and second-order quadrupolar anisotropies, which in turn can be used to analyze a quadrupolar lineshape free of anisotropic bulk magnetic susceptibility (ABMS) induced shift dispersion and determine both isotropic shift and quadrupolar products. Combining all these experiments, the shift and quadrupolar parameters for all observed Na environments were extracted and yielded excellent agreement with the density functional theory (DFT) based models that were reported in previous literature. We expect these methods to open the door for new possibilities for solid-state NMR to probe half-integer quadrupolar nuclei in paramagnetic materials and other systems exhibiting large shift dispersion.

Tentative results from feasibility analyses are critical for planning future randomized control trials (RCTs) in the emerging field of neural biomarkers of behavioral interventions. The current feasibility study used MRI-derived diffusion imaging data to investigate whether it would be possible to identify neural biomarkers of a behavioral intervention among people diagnosed with autism spectrum disorder (ASD). The corpus callosum has been linked to cognitive processing and callosal abnormalities have been previously found in people diagnosed with ASD. We used a case-control design to evaluate the association between the type of intervention people diagnosed with ASD had previously received and their current white matter integrity in the corpus callosum. Twenty-six children and adolescents with ASD, with and without a history of parent-managed behavioral intervention, underwent an MRI scan with a diffusion data acquisition sequence. We conducted tract-based spatial statistics and a region of interest analysis. The fractional anisotropy values (believed to indicate white matter integrity) in the posterior corpus callosum was significantly different across cases (exposed to parent-managed behavioral intervention) and controls (not exposed to parent-managed behavioral intervention). The effect was modulated by the intensity of the behavioral intervention according to a dose-response relationship. The current feasibility case-control study provides the basis for estimating the statistical power required for future RCTs in this field. In addition, the study demonstrated the effectiveness of purposely-developed motion control protocols and helped to identify regions of interest candidates. Potential clinical applications of diffusion tensor imaging in the evaluation of treatment outcomes in ASD are discussed.

BACKGROUND: Only a small proportion of schizophrenia patients present with catatonic symptoms. Imaging studies suggest that brain motor circuits are involved in the underlying pathology of catatonia. However, data about diffusivity dysregulation of these circuits in catatonic schizophrenia are scarce.
OBJECTIVE: To assess the involvement of brain motor circuits in schizophrenia patients with catatonia.
METHODS: Diffusion tensor imaging (DTI) was used to measure white matter signals in selected brain regions linked to motor circuits. Relevant DTI data of seven catatonic schizophrenia patients were compared to those of seven non-catatonic schizophrenia patients, matched for sex, age, and education level.
RESULTS: Significantly elevated fractional anisotropy values were found in the splenium of the corpus callosum, the right peduncle of the cerebellum, and the right internal capsule of the schizophrenia patients with catatonia compared to those without catatonia. This finding showed altered diffusivity in selected motor-related brain areas.
CONCLUSIONS: Catatonic schizophrenia is associated with dysregulation of the connectivity in specific motoric brain regions and corresponding circuits. Future DTI studies are needed to address the neural correlates of motor abnormalities in schizophrenia-related catatonia during the acute and remitted state of the illness to identify the specific pathophysiology of this disorder.

A rate-dependent self-consistent crystal plasticity model was incorporated with the Marciniak-Kuczyński model in order to study the effects of anisotropy on the forming limits of BCC materials. The computational speed of the model was improved by a factor of 24 when running the simulations for several strain paths in parallel. This speed-up enabled a comprehensive investigation of the forming limits of various BCC textures, such as γ, σ, α, η and ϵ fibers and a uniform (random) texture. These simulations demonstrate that the crystallographic texture has significant (both positive and negative) effects on the resulting forming limit diagrams. For example, the γ fiber texture, which is often sought through thermo-mechanical processing due to a high r-value, had the highest forming limit in the balanced biaxial strain path but the lowest forming limit under the plane strain path among the textures under consideration. A systematic investigation based on the results produced by the current model, referred to as \'VPSC-FLD\', suggests that the r-value does not serve as a good measure of forming limit strain. However, model predictions show a degree of correlation between the r-value and the forming limit stress.

The emerging class of topological materials provides a platform to engineer exotic electronic structures for a variety of applications. As complex band structures and Fermi surfaces can directly benefit thermoelectric performance it is important to identify the role of featured topological bands in thermoelectrics particularly when there are coexisting classic regular bands. In this work, the contribution of Dirac bands to thermoelectric performance and their ability to concurrently achieve large thermopower and low resistivity in novel semimetals is investigated. By examining the YbMnSb2 nodal line semimetal as an example, the Dirac bands appear to provide a low resistivity along the direction in which they are highly dispersive. Moreover, because of the regular-band-provided density of states, a large Seebeck coefficient over 160 µV K-1 at 300 K is achieved in both directions, which is very high for a semimetal with high carrier concentration. The combined highly dispersive Dirac and regular bands lead to ten times increase in power factor, reaching a value of 2.1 mW m-1 K-2 at 300 K. The present work highlights the potential of such novel semimetals for unusual electronic transport properties and guides strategies towards high thermoelectric performance.

An approach engaging Vertical Electrical Sounding (VES) and remote sensing data was carried out with a view to developing groundwater potential and aquifer vulnerability maps of the study area. One hundred and one (101) depth sounding data were acquired using Schlumberger array, with half maximum current electrode separation (AB/2) of 100 m. The VES were quantitatively interpreted using partial curve matching and computer aided iteration to determine the geoelectrical parameters of each station. The remote sensing data were processed using the application of Geographic Information System-based multi-criteria technique ArcGIS software. Eight (8) parameters namely lineament density, drainage density, slope, transmissivity, hydraulic conductivity, coefficient of anisotropy, aquifer thickness and resistivity were used to produce the groundwater potential model while five (5) parameters namely, lineament density, slope, longitudinal conductance, hydraulic conductivity and thickness of layer overlying the delineated aquifer were also used to produce the vulnerability model. The final output of overlay parameters for estimating the groundwater potential gave an index that ranged from 1-5. The zone categorised as low groundwater potential covered about 80% of the area. The majority of the area falls within low (about 80%) vulnerability and low groundwater potential rating while being relatively protected from potential contaminants infiltrating from the surface. The prediction accuracy of the groundwater potential model was established via existing hand-dug well correlation analysis.

Wrinkling is a ubiquitous surface phenomenon in many biological tissues and is believed to play an important role in arterial health. As arteries are highly nonlinear, anisotropic, multilayered composite systems, it is necessary to investigate wrinkling incorporating these material characteristics. Several studies have examined surface wrinkling mechanisms with nonlinear isotropic material relationships. Nevertheless, wrinkling associated with anisotropic constitutive models such as Ogden-Gasser-Holzapfel (OGH), which is suitable for soft biological tissues, and in particular arteries, still requires investigation. Here, the effects of OGH parameters such as fibers\' orientation, stiffness, and dispersion on the onset of wrinkling, wrinkle wavelength and amplitude are elucidated through analysis of a bilayer system composed of a thin, stiff neo-Hookean membrane and a soft OGH substrate subjected to compression. Critical contractile strain at which wrinkles occur is predicted using both finite element analysis and analytical linear perturbation approach. Results suggest that besides stiffness mismatch, anisotropic features associated with fiber stiffness and distribution might be used in natural layered systems to adjust wrinkling and subsequent folding behaviors. Further analysis of a bilayer system with fibers in the (x-y) plane subjected to compression in the x direction shows a complex dependence of wrinkling strain and wavelength on fiber angle, stiffness, and dispersion. This behavior is captured by an approximation utilizing the linearized anisotropic properties derived from OGH model. Such understanding of wrinkling in this artery wall-like system will help identify the role of wrinkling mechanisms in biological artery in addition to the design of its synthetic counterparts.

The anisotropic emission of neutrons from a cylindrical X1 252Cf source with the spherical external casing was experimentally determined. The influence of metal materials and shapes of the external casing to the anisotropy factor, FI(θ), was assessed by the Monte Carlo calculation, before performing the measurement. The results of the calculation implied that light- and spherical-shaped external casing decreases the anisotropic emission of neutrons from a cylindrical source and the nature of the material does not affect the anisotropic emission to a large extent. The experimental results obtained when a spherical-shaped aluminum protection case was employed also revealed that the anisotropy factor was close to 1.0 with a wide zenith angle range. Considering the source handling and measures against mechanical impact to the source, we designed an SUS304-made spherical protection case for a renovated source delivering apparatus. With the SUS304-made spherical protection case, the measured anisotropy factor FI(90) was determined to be 1.002 ± 0.002 (k = 1). Results from the experiments also indicated that the measured anisotropy factor has a flat distribution from 55 to 125° with zenith angle.

BACKGROUND: Pusher syndrome is a disorder of postural control. It is associated with unilateral lesions on central vestibular system. In the current study, we attempted to identify and investigate neural connectivity of the parieto-insular vestibular cortex in a patient with pusher syndrome, using diffusion tensor imaging.
METHODS: A 60-year-old male patient had left hemiplegia due to an infarction on right premotor cortex, primary motor cortex, corona radiata and temporal and occipital lobe. The patient had severe motor weakness in left upper and lower limb, left side neglect and significant pusher syndrome.
METHODS: Patient was diagnosed with left hemiplegia due to an infarction in the right middle cerebral artery territory at the neurology department of a university hospital.
METHODS: One patient and 5 control subjects of similar age participated. Diffusion tensor imaging data were acquired at 4-month and 12-month after the initial injury.
RESULTS: Fractional anisotropy, mean diffusivity, and tract volume (TV) were measured. TV values in both affected and unaffected hemispheres of the patient were significantly decreased at 4-month compared to those of control subjects. In the unaffected hemisphere of the patient, TV value showed significant increase at 12-month compared to that at 4-month. Although the TV value at 12-month of the affected hemisphere was out of reference range, TV was considerably increased compared to that at 4-month. Mean values for fractional anisotropy or mean diffusivity in 2 hemispheres did not show significant difference compared to those of control subjects regardless of month.
CONCLUSIONS: Restoration of an injured projection pathway between the vestibular nuclei and parieto-insular vestibular cortex with recovery of pusher syndrome was found in a patient with stroke.