Predicting behavior through dynamic modes in resting-state fMRI data.

Dynamic properties of resting-state functional connectivity (FC) provide rich information on brain-behavior relationships. Dynamic mode decomposition (DMD) has been used as a method to characterize FC dynamics. However, it remains unclear whether dynamic modes (DMs), spatial-temporal coherent patterns computed by DMD, provide information about individual behavioral differences. This study established a methodological approach to predict individual differences in behavior using DMs. Furthermore, we investigated the contribution of DMs within each of seven specific frequency bands (0-0.1,...,0.6-0.7 Hz) for prediction. To validate our approach, we tested whether each of 59 behavioral measures could be predicted by performing multivariate pattern analysis on a Gram matrix, which was created using subject-specific DMs computed from resting-state functional magnetic resonance imaging (rs-fMRI) data of individuals. DMD successfully predicted behavior and outperformed temporal and spatial independent component analysis, which is the conventional data decomposition method for extracting spatial activity patterns. Most of the behavioral measures that were predicted with significant accuracy in a permutation test were related to cognition. We found that DMs within frequency bands <0.2 Hz primarily contributed to prediction and had spatial structures similar to several common resting-state networks. Our results indicate that DMD is efficient in extracting spatiotemporal features from rs-fMRI data.

Particle Timing Control and Alignment in Microchannel Flow by Applying Periodic Force Control Using Dielectrophoretic Force.

In this study, a technique for particle streamwise timing, spacing and velocity control (alignment) in microchannel flow by controlling the forces exerted on the particle in space and time, was developed. In the present technique, the timing of particles crossing a certain position in microchannel flow with a specific interval and the particle velocity are controlled by applying acceleration and deceleration forces periodically in the streamwise direction and activating them periodically. The force is produced by a dielectrophoretic force using ladder-type electrodes embedded in the microfluidic device and is turned on and off in a cycle. The timing of particles crossing a certain position can be changed by adjusting the phase of the on-off cycle, i.e., the phase of the voltage signal. In the experiment, timing and velocity were measured at the inlet and outlet of ladder-type regions for Jurkat cells and particles of some variation in size, and probability density functions for the deviation of these values from the equilibrium (aligned) state were evaluated. Further, we will discuss the motion characteristics of the particles numerically and experimentally to understand the mechanism and evaluate the performance of the particle timing control and alignment using the present technique. The results confirm that the particles randomly distributed at the inlet of ladder-type electrode regions are controlled to flow with even spacing at a specific velocity. Moreover, the timing of the particles passing a specific location in the ladder-type electrode region was synchronized with the activated/nonactivated cycle of the applied force and could be specified.

An Ethynylene-Bridged Pentacene Dimer: Two-Step Synthesis and Charge-Transport Properties.

A rigid and planar ethynylene-bridged pentacene dimer (PenD) was synthesized from pentacenequinone in two steps, skipping the conventional stepwise approach. A brickwork motif in the single crystal shows two-dimensionally extended electronic interaction in the solid state. Highly crystalline dip-coated films exhibited average hole mobility of 0.24 cm2 V-1 s-1 , comparable to that of the single-crystal organic field-effect transistors. This discovery and understanding of the reaction for the facile synthesis of ethynylene-bridged π-conjugated systems enables to the synthesis of a wide range of organic semiconducting materials.

Dinaphthotetrathiafulvalene Bisimides: A New Member of the Family of π-Extended TTF Stable p-Type Semiconductors.

Air-stable organic semiconductors based on tetrathiafuluvalene (TTF) were developed by synthesising a series of dinaphthotetrathiafulvalene bisimides (DNTTF-Im) using electron-donating TTF, π-extended naphthalene, and electron-withdrawing imide. Electron-spin-resonance spectroscopy and X-ray single-crystal structure analysis of aryl-substituted DNTTF-Im radical cations confirmed that localisation of the spin resides on the electron-donating TTF moiety. The organic field-effect transistor properties derived from the use of highly crystalline n-butyl (C4) and n-hexyl(C6)-substituted DNTTF-Im were assessed. The hole carrier mobility of C6-DNTTF-Im was improved from 3.7×10-3  cm2 V-1 s-1 to 0.30 cm2 V-1 s-1 in ambient conditions. This is attributed to the raise of the substrate temperature from 25 °C to 200 °C during sublimation. The XRD and microscopy analysis suggested that increasing the substrate temperature accelerates the end-on packing resulting in larger grains suitable for hole charge transport parallel to the substrate.

Topological Control of Columnar Stacking Made of Liquid-Crystalline Thiophene-Fused Metallonaphthalocyanines.

The spontaneous organization of two-dimensional polyaromatic molecules into well-defined nanostructures through noncovalent interactions is important in the development of organic-based electronic and optoelectronic devices. Two regioisomers of thiophene-fused zinc naphthalocyanines ZnTNcendo and ZnTNcexo have been designed and synthesized to obtain photo- and electroactive liquid crystalline materials. Both compounds exhibited liquid crystalline behavior over a wide temperature range through intermolecular π-π interactions and local phase segregation between the aromatic cores and peripheral side chains. The structural differences between ZnTNcendo and ZnTNcexo affected the stacking mode in self-assembled columns, as well as symmetry of the two-dimensional rectangular columnar lattice. The columnar structure in liquid crystalline phase exhibited an ambipolar charge-transport behavior.

Discovery of 2-(2-oxo-1-phenyl-5-pyridin-2-yl-1,2-dihydropyridin-3-yl)benzonitrile (perampanel): a novel, noncompetitive α-amino-3-hydroxy-5-methyl-4-isoxazolepropanoic acid (AMPA) receptor antagonist.

Dysfunction of glutamatergic neurotransmission has been implicated in the pathogenesis of epilepsy and numerous other neurological diseases. Here we describe the discovery of a series of 1,3,5-triaryl-1H-pyridin-2-one derivatives as noncompetitive antagonists of AMPA-type ionotropic glutamate receptors. The structure-activity relationships for this series of compounds were investigated by manipulating individual aromatic rings located at positions 1, 3, and 5 of the pyridone ring. This culminated in the discovery of 2-(2-oxo-1-phenyl-5-pyridin-2-yl-1,2-dihydropyridin-3-yl)benzonitrile (perampanel, 6), a novel, noncompetitive AMPA receptor antagonist that showed potent activity in an in vitro AMPA-induced Ca2+ influx assay (IC50=60 nM) and in an in vivo AMPA-induced seizure model (minimum effective dose of 2 mg/kg po). Perampanel is currently in regulatory submission for partial-onset seizures associated with epilepsy.

Practical synthesis of chiral emopamil left hand as a bioactive motif.

An asymmetric synthesis of (2S)-2-(2-isopropyl)-5-hydroxy-2-phenylpentanenitrile (emopamil left hand, 2) has been completed by use of the MAD (methyl aluminum bis(4-methyl-2,6-di-tert-butylphenoxide)-induced rearrangement of a chiral epoxyalcohol as the key reaction. The stereochemistry of the chiral quaternary center was confirmed by transformation of 2 to (S)-noremopamil. This method requires minimal purification procedures and affords high chemical and optical yields. Acid-catalyzed isomerization of an allylaldehyde and retro-aldol type racemization at the quaternary carbon of a nitrile-alcohol were encountered.

Discovery of novel neuronal voltage-dependent calcium channel blockers based on emopamil left hand as a bioactive template.

A series of novel neuronal voltage-dependent calcium channel (VDCC) blockers, with inhibitory activity at low micromolar and moderate solubility in water, was discovered by constructing and screening a focused library based on emopamil (1) left hand (ELH) as a bioactive template.