Additional file 1: of FT4 and TSH, relation to diagnoses in an unselected psychiatric acute-ward population, and change during acute psychiatric admission

Table S1. Serum FT4 and TSH Levels across 8 Diagnostic Groups in Total Sample. (DOCX 19 kb

First-Principles Atomic Force Microscopy Image Simulations with Density Embedding Theory

We present an efficient first-principles method for simulating noncontact atomic force microscopy (nc-AFM) images using a “frozen density” embedding theory. Frozen density embedding theory enables one to efficiently compute the tip–sample interaction by considering a sample as a frozen external field. This method reduces the extensive computational load of first-principles AFM simulations by avoiding consideration of the entire tip–sample system and focusing on the tip alone. We demonstrate that our simulation with frozen density embedding theory accurately reproduces full density functional theory simulations of freestanding hydrocarbon molecules while the computational time is significantly reduced. Our method also captures the electronic effect of a Cu(111) substrate on the AFM image of pentacene and reproduces the experimental AFM image of Cu₂N on a Cu(100) surface. This approach is applicable for theoretical imaging applications on large molecules, two-dimensional materials, and materials surfaces

Gust Response Evaluation of Cable-Stayed Bridges under Erection using Gust Response Analysis and Elastic Model

This paper was reviewed and accepted by the APCWE-IX Programme Committee for Presentation at the 9th Asia-Pacific Conference on Wind Engineering, University of Auckland, Auckland, New Zealand, held from 3-7 December 2017

Electric-Field-Induced Reorientation of the Magnetic Easy Plane in a Co-Substituted BiFeO₃ Single Crystal

Single crystals of BiFe_0.9Co_0.1O₃ and BiFe_0.892Mn_0.008Co_0.1O₃, room temperature ferroelectric ferromagnets, were successfully grown by a flux method at a high pressure of 3 GPa. Remanent magnetization measurements along 18 crystallographic directions revealed the existence of a magnetic easy plane perpendicular to the electric polarization. Reorientation of the magnetic easy plane occurred in connection with 71° ferroelectric switching by applying an electric field. This is the first demonstration of an electric field affecting the local magnetic moment of Co-substituted BiFeO₃

Prediction and Determination of the Stereochemistry of the 1,3,5-Trimethyl-Substituted Alkyl Chain in Verucopeptin, a Microbial Metabolite

For the prediction of the relative stereochemistry of 1,3-dimethyl substitution in alkyl chains, a simple approach based on ¹H NMR data was recently proposed; Δδ values of methylene protons located between methyl-substituted methine carbons can be diagnostic for predicting it. Here we applied this empirical “geminal proton rule” to verucopeptin, a lipopeptide from Streptomyces sp. To determine the absolute stereochemistry of the 1,3,5-trimethyl-substituted alkyl chain in verucopeptin, we converted the corresponding alkyl chain to a carboxylic acid by oxidative cleavage. The geminal proton rule clearly predicted the relative stereochemistry as 31<i>S</i>*,33<i>S</i>*,35<i>R</i>*. This prediction was definitely confirmed by synthesizing four possible diastereomers and comparing their NMR spectra. Furthermore, we reinvestigated the geminal proton rule using reported compounds and our synthesized compounds. Our result strongly suggests that the rule was solid, at least for predicting the stereochemistry of 2,4-dimethylated and 2,4,6-trimethylated fatty acids

Altered Fronto-Striatal Fiber Topography and Connectivity in Obsessive-Compulsive Disorder

<div><p>Fronto-striatal circuits are hypothesized to be involved in the pathophysiology of obsessive-compulsive disorder (OCD). Within this circuitry, ventral frontal regions project fibers to the ventral striatum (VS) and dorsal frontal regions to the dorsal striatum. Resting state fMRI research has shown higher functional connectivity between the orbitofrontal cortex (OFC) and the dorsal part of the VS in OCD patients compared to healthy controls (HC). Therefore, we hypothesized that in OCD the OFC predominantly project fibers to the more dorsal part of the VS, and that the structural connectivity between the OFC and VS is higher compared to HC. A total of 20 non-medicated OCD patients and 20 HC underwent diffusion-weighted imaging. Connectivity-based parcellation analyses were performed with the striatum as seed region and the OFC, dorsolateral prefrontal cortex, and dorsal anterior cingulate cortex as target regions. Obtained connectivity maps for each frontal region of interest (ROI) were normalized into standard space, and <i>Z</i>-component (dorsal–ventral) coordinate of center-of-gravity (COG) were compared between two groups. Probabilistic tractography was performed to investigate diffusion indices of fibers between the striatum and frontal ROIs. COG <i>Z</i>-component coordinates of connectivity maps for OFC ROI were located in the more dorsal part of the VS in OCD patients compared to HC. Fractional anisotropy of fibers between the OFC and the striatum was higher in OCD patients compared to HC. Part of the pathophysiology of OCD might be understood by altered topography and structural connectivity of fibers between the OFC and the striatum.</p></div

Optogenetic Activation of CA1 Pyramidal Neurons at the Dorsal and Ventral Hippocampus Evokes Distinct Brain-Wide Responses Revealed by Mouse fMRI

<div><p>The dorsal and ventral hippocampal regions (dHP and vHP) are proposed to have distinct functions. Electrophysiological studies have revealed intra-hippocampal variances along the dorsoventral axis. Nevertheless, the extra-hippocampal influences of dHP and vHP activities remain unclear. In this study, we compared the spatial distribution of brain-wide responses upon dHP or vHP activation and further estimate connection strengths between the dHP and the vHP with corresponding extra-hippocampal areas. To achieve this, we first investigated responses of local field potential (LFP) and multi unit activities (MUA) upon light stimulation in the hippocampus of an anesthetized transgenic mouse, whose CA1 pyramidal neurons expressed a step-function opsin variant of channelrhodopsin-2 (ChR2). Optogenetic stimulation increased hippocampal LFP power at theta, gamma, and ultra-fast frequency bands, and augmented MUA, indicating light-induced activation of CA1 pyramidal neurons. Brain-wide responses examined using fMRI revealed that optogenetic activation at the dHP or vHP caused blood oxygenation level-dependent (BOLD) fMRI signals <i>in situ</i>. Although activation at the dHP induced BOLD responses at the vHP, the opposite was not observed. Outside the hippocampal formation, activation at the dHP, but not the vHP, evoked BOLD responses at the retrosplenial cortex (RSP), which is in line with anatomical evidence. In contrast, BOLD responses at the lateral septum (LS) were induced only upon vHP activation, even though both dHP and vHP send axonal fibers to the LS. Our findings suggest that the primary targets of dHP and vHP activation are distinct, which concurs with attributed functions of the dHP and RSP in spatial memory, as well as of the vHP and LS in emotional responses.</p></div

The striatum and 3 frontal ROIs (OFC, DLFPC, and dACC) in the left hemisphere.

<p>The striatum and 3 frontal ROIs (OFC, DLFPC, and dACC) in the left hemisphere.</p

Explanation of connectivity and topography.

<p>BOLD: blood oxygen level-dependent, COG: center-of-gravity, DWI: diffusion weighted imaging.</p><p>*Note that fractional anisotropy does not exactly represent strength of structural connectivity because it is modulated not only by degree of myelination and number of fibers but also by membrane permeability and fiber orientation in each voxel.</p><p>Explanation of connectivity and topography.</p

BOLD signal amplitudes upon optogenetic activation at the dorsal or ventral hippocampus.

<p>Repeated fMRI signal responses are observed upon optogenetic activation of CA1 pyramidal neurons at the dHP (<b>A</b>) or vHP (<b>B</b>). dHP activation evokes BOLD responses at the dHP, retrosplenial cortex (RSP), and vHP (<b>A</b>), whereas vHP activation evokes responses at the vHP and lateral septum (LS) (<b>B</b>). Pairs of blue and yellow vertical lines indicate periods of optogenetic activation. The x-axis at the top shows to the scan number of fMRI measurements. Grey shading indicates the SEM. <b>C, D,</b> Summary of BOLD responses upon optogenetic activation at dHP and vHP, respectively. The size of star polygons corresponds to magnitude of BOLD responses upon optogenetic stimulation at dHP (<b>C, red</b>) or vHP (<b>D, green</b>). Thickness of arrows suggests influence of dHP or vHP activation. Note that BOLD response at subiculum and entorhinal cortex, which are part of the hippocampal formation, is not included in this schematic picture.</p