Three-dimensional visualization and animation for power systems analysis

This paper describes a novel approach for three-dimensional visualization and animation of power systems analyses. The paper demonstrates that three-dimensional visualization of power systems can be used for teaching and can help in easily understanding complex concepts. The solutions of power flow analysis, continuation power flow, optimal power flow and time domain simulations are used for illustrating the proposed technique. The paper presents a variety of examples, particularly oriented to education and practitioner training. Conclusions are duly drawn.     

Dynamic REI equivalents for short circuit and transient stability analyses

This paper proposes a systematic approach for dynamic power system equivalents based on power transfer distribution factors. The proposed method divides the original network into an internal interconnected system and an external one. Static equivalents are computed at frontier buses that separate the retained internal system from the external one. The equivalents are formed using REI (Radial, Equivalent and Independent) networks and generator model aggregation. Generator parameters are computed based on power transfer distribution factors of the generated active power. The equivalent models are able to accurately approximate the behavior of the original system for short circuit and transient stability analyses. Two test systems, namely the Kundur’s 2-area test system and a 1213-bus network that model a real transmission system are used to illustrate and test the proposed technique.     

Effects of high-pressure homogenization on physicochemical properties and storage stability of switchgrass bio-oil

A high-pressure homogenization (HPH) technique was used to improve the physicochemical properties and storage stability of switchgrass bio-oil. The viscosity, ethanol-insoluble fraction, and mass average molecular weight (Mw) of the bio-oil decreased significantly, and particle size became smaller after HPH processing; however, no significant changes were detected in heating value, water content, density, pH value, or ash content. The bio-oil's chemical composition changed after HPH: amounts of some compounds (furfural, levoglucosan, diethoxymethyl acetate, and lignin-derived compounds) increased, while others (acetic acid and 1,2-ethanediol) decreased. The homogenization processing remarkably improved switchgrass bio-oil stability: the viscosity of bio-oil homogenized at 100 MPa increased by only 13.9% after storage at 40 °C for 60 days, whereas that of unhomogenized oil increased 56% after the same storage period. The operating cost was very modest at only $0.0102/L for bio-oil HPH processing at 100 MPa.     

Relevance of side reactions in anaerobic reductive dechlorination microcosms amended with different electron donors

In this study we examined the relative importance of side reactions, i.e. the formation of volatile fatty acids (VFA), and the reduction of alternative electron acceptors (nitrate, sulfate, Fe(III)), in enhanced dechlorination microcosms, amended with different electron donors, namely lactate, butyrate, and H(2)+acetate mixture. Dechlorination reactions proceeded at low rates and consequently, nearly all of the reducing equivalents (over 99%) available from electron donor consumption were channeled to (side) reactions other than dechlorination. The relevance of these side reactions was more evident with lactate which was consumed at higher rate than other electron donors. Correspondingly, high levels of VFA and soluble Fe(II) accumulated in the supernatant of lactate-amended microcosms. Ecotoxicity experiments (Lepidium sativum germination tests) also indicated that the supernatant was much more toxic/inhibitory than that of other microcosms. Among the electron donors tested, the H(2)+acetate mixture, yielded the most promising results in terms of extent of dechlorination, negligible accumulation of by-products, and residual groundwater toxicity. Fluorescent In situ Hybridization analysis (FISH) confirmed that H(2)+acetate-amended microcosms were dominated by Dehalococcoides spp., while a higher biodiversity was observed in the cultures fed with lactate or butyrate. Overall, the average amount of donor that was required for the removal of 1micromol of chloride from the contaminant differed greatly among the donors, namely 2.13meq/micromolCl(-) for lactate, 1.01meq/micromolCl(-) for butyrate, and 0.39meq/micromolCl(-) for H(2)+acetate mixture. Interestingly, dechlorinating activity was observed under sulfate-reducing conditions; this suggests that it may not be necessary to deplete the sulfate from the groundwater, for instance by supplying an excess electron donor, in order to achieve substantial dechlorination. Finally, in this study we found that the pathway of anaerobic lactate degradation shifted from the production of acetate and H(2) during active sulfate reduction to acetate and propionate upon sulfate depletion. Energetic considerations that support this finding were presented.     

A Virtual Screening Study of the 18 kDa Translocator Protein using Pharmacophore Models Combined with 3D‐QSAR Studies

In the present study, we considered various pharmacophore hypotheses for TSPO ligands and an optimal one was selected on the basis of 3D‐QSAR studies. This hypothesis was used in a ligand‐based virtual screening study on the Maybridge database with the aim of identifying new TSPO ligands. Binding assays revealed that all selected compounds displayed TSPO affinity at 10 μM , and among them two compounds exhibited sub‐micromolar K_i values. These results validated our applied methodologies, and the two compounds with sub‐micromolar affinity could be used as interesting leads for the development of new active TSPO ligands.     

Aberration-free ultrathin flat lenses and axicons at telecom wavelengths based on plasmonic metasurfaces

The concept of optical phase discontinuities is applied to the design and demonstration of aberration-free planar lenses and axicons, comprising a phased array of ultrathin subwavelength-spaced optical antennas. The lenses and axicons consist of V-shaped nanoantennas that introduce a radial distribution of phase discontinuities, thereby generating respectively spherical wavefronts and nondiffracting Bessel beams at telecom wavelengths. Simulations are also presented to show that our aberration-free designs are applicable to high-numerical aperture lenses such as flat microscope objectives.     

From zero to two dimensions: supramolecular nanostructures formed from perylene-3,4,9,10-tetracarboxylic diimide (PTCDI) and Ni on the Au(111) surface through the interplay between hydrogen-bonding and electrostatic metal-organic interactions

Supramolecular self-assembly of the organic semiconductor perylene-3,4,9,10-tetracarboxylic diimide (PTCDI) together with Ni atoms on the inert Au(111) surface has been investigated using high-resolution scanning tunneling microscopy under ultrahigh vacuum conditions. We demonstrate that it is possible by tuning the co-adsorption conditions to synthesize three distinct self-assembled Ni-PTCDI nanostructures from zero-dimensional (0-D) nanodots over one-dimensional (1-D) chains to a two-dimensional (2-D) porous network. The subtle interplay among non-covalent interactions responsible for the formation of the observed structures has been revealed from force-field structural modeling and calculations of partial charges, bond orders and binding energies in the structures. A unifying motif for the 1-D chains and the 2-D network is found to be double N-H??O hydrogen bonds between PTCDI molecules, similar to the situation found in surface structures formed from pure PTCDI. Most interestingly, we find that the role of the Ni atoms in forming the observed structures is not to participate in metal-organic coordination bonding. Rather, the Ni adatoms acquire a negative partial charge through interaction with the substrate and the Ni-PTCDI interaction is entirely electrostatic.      

Stress-mediated solution deposition method to stabilize ferroelectric BiFe1-xCrxO3 perovskite thin films with narrow bandgaps

Ferroelectric oxides with low bandgaps are mainly based on the BiFeO₃ perovskite upon the partial substitution of iron with different cations. However, the structural stability of many of these perovskites is only possible by their processing at high pressures (HP, >1GPa) and high temperatures (HT, >700ºC). Preparation methods under these severe conditions are accessible to powders and bulk ceramics. However, transferring these conditions to the fabrication of thin films is a challenge, thus limiting their use in applications. Here, a chemical solution deposition method is devised, which overcomes many of these restrictions. It is based on the application of an external compressive-stress to the film sample during the thermal treatment required for the film crystallization, promoting the formation and stabilization of these HP perovskites. We demonstrate the concept on BiFe_1-xCr_xO₃ (BFCO) thin films deposited on SrTiO₃ (STO) substrates and with large chromium contents. The resulting BFCO perovskite films show narrow bandgaps (Eg～2.57 eV) and an excellent ferroelectric response (remnant polarization, P_R～ 40 μC cm^?2). The polarized thin films under illumination present a large out-put power of ～6.4 μW cm^?2, demonstrating their potential for using in self-powered multifunctional devices. This stress-mediated solution deposition method can be extended to other perovskite films which are unviable under conventional deposition methods.     

Elucidating the electronic and magnetic properties of epitaxial graphene grown on SiC with a defective buffer layer

Journal of Materials Science - The epitaxial graphene layer (EG) grown on silicon carbide (SiC) is severely affected by the presence of the underlying graphene buffer layer (BL). However, little...     

The Anthelmintic Drug Niclosamide and Its Analogues Activate the Parkinson's Disease Associated Protein Kinase PINK1

Mutations in PINK1, which impair its catalytic kinase activity, are causal for autosomal recessive early‐onset Parkinson's disease (PD). Various studies have indicated that the activation of PINK1 could be a useful strategy in treating neurodegenerative diseases, such as PD. Herein, it is shown that the anthelmintic drug niclosamide and its analogues are capable of activating PINK1 in cells through the reversible impairment of the mitochondrial membrane potential. With these compounds, for the first time, it is demonstrated that the PINK1 pathway is active and detectable in primary neurons. These findings suggest that niclosamide and its analogues are robust compounds for the study of the PINK1 pathway and may hold promise as a therapeutic strategy in PD and related disorders.