Spin-polarized currents induced in antiferromagnetic polymer multilayered field-effect transistors.

A theoretical construction of an antiferromagnetic polymer multilayered field-effect transistor with polymers stretched between the source and drain contacts was undertaken. The model employed a quantum approach to the on-chain spin-charge distribution, which was self-consistently coupled with the charge distribution controlled by the gate voltage. Contrary to standard field-effect transistors, we found that the current firstly increased superlinearly with the drain voltage, then it achieved the maximum for drain voltages notably lower than the gate voltage, and after that, it decreased with the drain voltage with no saturation.

Fidelity Assessment of Motion Platform Cueing: Comparison of Driving Behavior under Various Motion Levels.

The present paper focuses on vehicle simulator fidelity, particularly the effect of motion cues intensity on driver performance. The 6-DOF motion platform was used in the experiment; however, we mainly focused on one characteristic of driving behavior. The braking performance of 24 participants in a car simulator was recorded and analyzed.

A fast privacy-preserving patient record linkage of time series data.

Recent advances in technology have led to an explosion of data in virtually all domains of our lives. Modern biomedical devices can acquire a large number of physical readings from patients. Often, these readings are stored in the form of time series data.

Formation of spin-polarized current in antiferromagnetic polymer spintronic field-effect transistors.

We have theoretically investigated the feasibility of constructing a spintronic field-effect transistor with the active channel made of a polymer chain with the antiferromagnetic coupling oriented in the source-to-drain direction. We found two different device function regimes controlling the on-chain spin-charge carrier density by tuning the gate voltage. At higher charge carrier densities, the source-drain current linearly increases with decreasing charge carrier densities.

D-A-D Compounds Combining Dithienopyrrole Donors and Acceptors of Increasing Electron-Withdrawing Capability: Synthesis, Spectroscopy, Electropolymerization, and Electrochromism.

Five compounds consisting of the same donor unit (dithieno[3,2-:2',3'-]pyrrole, ), the same π-linker (2,5-thienylene), and different acceptors of increasing electron-withdrawing ability (1,3,4-thiadiazole (), benzo[][1,2,5]thiadiazole (), 2,5-dihydropyrrolo[3,4-]pyrrole-1,4-dione (), 1,2,4,5-tetrazine (), and benzo[][3,8]phenanthroline-1,3,6,8(2,7)-tetraone ()) were synthesized. , , and turned out to be interesting luminophores emitting either yellow ( or near-infrared ( and ) radiation in dichloromethane solutions. The emission bands were increasingly bathochromically shifted with increasing solvent polarity.

Kinetics of the Photoexcited States in Thin Films of Metallo-Supramolecular Polymers With Ditopic Thiophene-Bridged Terpyridine Ligands.

Managing the excited-state decay by a supramolecular structure is a crucial issue for organic photovoltaics. We show that in thin films of metallo-supramolecular polymers made of bis(terpyridine-4'-yl)terthiophenes and coupling ions, the photoexcited states generated by ultrashort laser pulses at the wavelength of 440 nm decay by the bi-molecular annihilation predominantly controlled by the Förster transfer between singlet states. During this bi-molecular annihilation of singlet states, intermediate hot triplet pairs are formed, which subsequently dissociate into long-living diffusing triplet states.

Singlet Fission in Thin Solid Films of Bis(thienyl)diketopyrrolopyrroles.

The singlet fission (SF) process discovered in bis(thienyl)diketopyrrolopyrroles (TDPPs) can boost their potential for photovoltaics (PV). The crystal structures of TDPP analogs carrying n-hexyl, n-butyl, or 2-(adamant-1-yl)ethyl substituents are similar, but contain increasingly slipped stacked neighbor molecules. The observed SF rate constants, k , (7±4), (9±3) and (5.

Effect of the substituent position on the electrochemical, optical and structural properties of donor-acceptor type acridone derivatives.

Three new donor-acceptor (D-A) compounds, positional isomers of phenoxazine-substituted acridone, namely 1-phenoxazine-N-hexylacridone (o-A), 2-phenoxazine-N-hexylacridone (m-A) and 3-phenoxazine-N-hexylacridone (p-A), were synthesized. The synthesized compounds showed interesting, isomerism-dependent electrochemistry. Their oxidation was reversible and their potential (given vs.

Gate voltage impact on charge mobility in end-on stacked conjugated oligomers.

We present a model of the charge transport in thin film organic field-effect transistors with the active channel made of linear conjugated chains stacked on the substrate with end-on-orientation. The transport was simulated in a box consisting of 25 polymer chains, in which the delocalized quantum orbital eigenstates of the on-chain hole distribution were calculated. The inter-chain charge transfer was solved semi-classically.

On the methodology of the determination of charge concentration dependent mobility from organic field-effect transistor characteristics.

We developed a new methodology for determining charge concentration dependent mobility from organic field-effect transistor (OFET) characteristics, applicable for semiconducting polymers with structural and energy disorder. We show that basic formulae recommended by the "IEEE Standard for Test Methods for the Characterization of Organic Transistors and Materials" for the determination of the field-effect mobility as obtained from the slope Ivs. V (in the saturation regime) or from the transconductance dI/dV (in the linear regime) are not suitable for materials with concentration dependent charge carrier mobility.

Modelling of the charge carrier mobility in disordered linear polymer materials.

We introduced a molecular-scale description of disordered on-chain charge carrier states into a theoretical model of the charge carrier transport in polymer semiconductors. The presented model combines the quantum mechanical approach with a semi-classical solution of the inter-chain charge hopping. Our model takes into account the significant local anisotropy of the charge carrier mobility present in linear conjugated polymers.

"We Should Talk"-Moving knowledge into action by learning to engage patients, families, and healthcare staff to communicate for patient safety.

Innovation in patient engagement and empowerment has been identified as a priority area in the Canadian healthcare system. This article describes the development and implementation of the We Should Talk campaign at an academic pediatric hospital. Through the use of a guiding theoretical framework and a multidisciplinary project team, a multimedia campaign was designed to inspire staff, patients and families to effectively communicate to improve patient safety.

Nanoparticles of alkylglyceryl-dextran-graft-poly(lactic acid) for drug delivery to the brain: Preparation and in vitro investigation.

Poly(lactic acid), which has an inherent tendency to form colloidal systems of low polydispersity, and alkylglyceryl-modified dextran - a material designed to combine the non-immunogenic and stabilising properties of dextran with the demonstrated permeation enhancing ability of alkylglycerols - have been combined for the development of nanoparticulate, blood-brain barrier-permeating, non-viral vectors. To this end, dextran, that had been functionalised via treatment with epoxide precursors of alkylglycerol, was covalently linked to poly(lactic acid) using a carbodiimide cross-linker to form alkylglyceryl-modified dextran-graft-poly(lactic acid). Solvent displacement and electrospray methods allowed the formulation of these materials into nanoparticles having a unimodal size distribution profile of about 100-200nm and good stability at physiologically relevant pH (7.

Novel algorithms for improved pattern recognition using the US FDA Adverse Event Network Analyzer.

The medical review of adverse event reports for medical products requires the processing of "big data" stored in spontaneous reporting systems, such as the US Vaccine Adverse Event Reporting System (VAERS). VAERS data are not well suited to traditional statistical analyses so we developed the FDA Adverse Event Network Analyzer (AENA) and three novel network analysis approaches to extract information from these data. Our new approaches include a weighting scheme based on co-occurring triplets in reports, a visualization layout inspired by the islands algorithm, and a network growth methodology for the detection of outliers.

Evaluation of antibacterial properties of novel phthalocyanines against Escherichia coli--comparison of analytical methods.

We analyzed antibacterial effects of several novel phthalocyanines against Escherichia coli and evaluated the suitability of flow cytometry for the detection of antibacterial effects of phthalocyanines in comparison with routinely used cultivation. After 3h of exposure under cool white light eight cationic phthalocyanines showed very high antibacterial activity in the concentration of 2.00 mg L(-1) and four of them were even efficient in the concentration of 0.

Roles of octabutoxy substitution and J-aggregation in stabilization of the excited state in nickel phthalocyanine.

Nickel phthalocyanine (NiPc) complexes are known to show a rapid nonradiative deactivation of the photoexcited state through the internal conversion. This could be exploited in practical applications, such as photoprotection and photodynamic therapy. The butoxy substitution of NiPc plays an important role for drug delivery but also greatly influences its photophysics.

Extraction and DFT study on the complexation of Zn(2+) with beauvericin.

From extraction experiments and g-activity measurements, the exchange extraction constant corresponding to the equilibrium Zn2+(aq) + 1 . Sr2+(nb) <-> 1 . Zn2+(nb) + Sr2+(aq) taking place in the two-phase water-nitrobenzene system (1 = beauvericin; aq = aqueous phase, nb = nitrobenzene phase) was evaluated as log Kex (Zn2+, 1 .

Extraction and DFT Study on the Complexation of the TRIS+ Cation with a Hexaarylbenzene-Based Receptor.

From extraction experiments and -activity measurements, the exchange extraction constant corresponding to the equilibrium TRIS+(aq) + 1.Cs+(nb) <-> 1.TRIS+(nb) + Cs+(aq) taking place in the two-phase water-nitrobenzene system (TRIS+ = (HOCH2)3C-NH3+, 1 = hexaarylbenzene - based receptor; aq = aqueous phase, nb = nitrobenzene phase) was evaluated as log Kex (TRIS+, 1.

Complexation of the Silver Cation with Dibenzo-30-crown-10: Extraction and DFT Study.

From extraction experiments and γ-activity measurements, the exchange extraction constant corresponding to the equilibrium Ag+(aq) + 1.Cs+(nb) <-> 1.Ag+ (nb) + Cs+(aq) taking place in the two-phase water-nitrobenzene system (1 = dibenzo-30-crown-10; aq = aqueous phase, nb = nitrobenzene phase) was determined as log Kex (Ag+, 1.

Theoretical study on the protonation of cucurbit[7]uril.

By using quantum mechanical DFT calculations, the most probable structures of the cucurbit[7]urilH3O+ and cucur-bit[7]uril'(H3O+)2 cationic complex species were derived. In these two complexes having a plane symmetry, each of the considered H3O+ cations is bound by relatively strong hydrogen bonds to the corresponding carbonyl oxygens of the parent cucurbit[7]uril macrocycle.

Complexation of the ammonium cation with dibenzo-18-crown-6: extraction and DFT study.

From extraction experiments and gamma-activity measurements, the extraction constan corresponding to the equilibrium NH4(+)(aq) + 1*Na(+)(nb) <=> 1*NH4(+)(nb) + Na(+)(aq) taking place in the two-phase water - nitrobenzene system (1 = dibenzo-18-crown-6, aq = aqueous phase, nb = nitrobenzene phase) was evaluated as log K(ex) (NH4(+),1*Na(+)) = -0.1 +/- 0.1.

Bambus[6]uril as a novel macrocyclic receptor for the nitrate anion.

By using quantum mechanical DFT calculations, the most probable structure of the bambus[6]uril x NO3(-) anionic complex species was derived. In this complex having C3 symmetry, the nitrate anion NO3(-), included in the macrocyclic cavity, is bound by twelve weak hydrogen bonds between methine hydrogen atoms on the convex face of glycoluril units and the considered NO3(-) ion.

Naphthalene bisimides asymmetrically and symmetrically N-substituted with triarylamine--comparison of spectroscopic, electrochemical, electronic and self-assembly properties.

Two semiconducting naphthalene bisimides were comparatively studied: NBI-(TAA)(2), symmetrically N-substituted with triaryl amine and asymmetric NBI-TAA-Oc with triaryl amine and octyl N-substituents. Both compounds show very similar spectroscopic and redox properties but differ in their supramolecular organization. As evidenced by STM, in monolayers on HOPG they form ordered 2D structures, however of different packing patterns.

Experimental and theoretical study on the complexation of beauvericin with the ammonium cation.

From extraction experiments and γ-activity measurements, the extraction constant corresponding to the equilibrium NH4+(aq) + NaL+ (nb) <-> NH4L+(nb) + Na+ (aq) taking place in the two-phase water-nitrobenzene system (L = beauvericin; aq = aqueous phase, nb = nitrobenzene phase) was evaluated as log Kex (NH4+, NaL+) = 1.5 ± 0.1.