Crystal, Molecular, and Electronic Structure of 1-Acetyl-indoline and Derivatives

The crystal and molecular structures of the following molecules have been determined: 1-acetyl-indoline, 1-acetyl-5-nitro-indoline, 1-acetyl-5-nitro-7-bromo-indoline, 1-acetyl-5-bromo-7-nitro-indoline, and 1-acetyl-5-bromo-7-nitro-indol. Molecular orbital calculations are performed for these compounds and two related species.

Analysis of aluminum plates under heating in electrical and natural gas furnaces

This paper analyzes the thermal storage characteristics of aluminum plates in furnaces during their heating for lamination under two sources of heat: an electrical resistance bank and a combustion process carried out with natural gas. The set of equations to model the furnace under operation with electrical energy, for air as the fluid, is presented. This supports the theoretical analysis for the system under operation with natural gas combustion products. A numerical procedure, using the software ANSYS, is applied to determine the convection heat transfer coefficients for heating by the air flow. Temperatures measured in a plate inside a real furnace are used as parameters to determine these coefficients. Then convection and radiation heat transfer coefficients are determined for the natural gas combustion products. Results are compared, indicating a possible gain of 5.5 h in relation to a 19.5 h period of conventional electrical heating per plate.

Temperature dependence of structural and electronic properties of the spin-liquid candidate κ-(BEDT-TTF) 2Cu 2(CN) 3

We investigate the effect that the temperature dependence of the crystal structure of a two-dimensional organic charge-transfer salt has on the low-energy Hamiltonian representation of the electronic structure. For that, we determine the crystal structure of κ-(BEDT-TTF) 2Cu 2(CN) 3 for a series of temperatures between T=5 and 300 K by single crystal X-ray diffraction and analyze the evolution of the electronic structure with temperature by using density functional theory and tight binding methods. We find a considerable temperature dependence of the corresponding triangular lattice Hubbard Hamiltonian parameters. We conclude that even in the absence of a change of symmetry, the temperature dependence of quantities like frustration and interaction strength can be significant and should be taken into account. © 2012 American Physical Society.

An enhanced genetic algorithm to solve the static and multistage transmission network expansion planning

An enhanced genetic algorithm (EGA) is applied to solve the long-term transmission expansion planning (LTTEP) problem. The following characteristics of the proposed EGA to solve the static and multistage LTTEP problem are presented, (1) generation of an initial population using fast, efficient heuristic algorithms, (2) better implementation of the local improvement phase and (3) efficient solution of linear programming problems (LPs). Critical comparative analysis is made between the proposed genetic algorithm and traditional genetic algorithms. Results using some known systems show that the proposed EGA presented higher efficiency in solving the static and multistage LTTEP problem, solving a smaller number of linear programming problems to find the optimal solutions and thus finding a better solution to the multistage LTTEP problem. Copyright © 2012 Luis A. Gallego et al.

Altering the adsorptive and electronic properties of Pt through poly(vinyl alcohol) adsorption

In the present paper we investigated the effect of adsorbed PVA on Pt electrodes on classic electrochemical processes such as hydrogen UPD, oxygen reduction and CO electro-oxidation. Upon adsorption PVA blocks roughly 50% of the hydrogen sites and can not be removed from the Pt surface through cycling in the potential range of 0.05-1.0 V vs. RHE. Potentiodynamic experiments under controlled hydrodynamic conditions provided by rotating disk electrode experiments showed a negative impact of the adsorbed PVA on the oxygen reduction reaction (ORR). Cyclic-voltammetry results revealed that not even CO was able to remove PVA from the Pt surface. Regarding the oxidation of CO, the adsorbed polymer positively shifted the CO oxidation peak potential, therefore higher potentials are required to free the Pt surface from CO poisoning. In situ Fourier transform infrared spectroscopy evidenced that the presence of PVA shifted the linearly bound CO frequency toward higher wavenumbers, a process found to be independent of the Pt surface orientation. In situ electrochemical X-ray absorption spectroscopy results showed that PVA also impacted the electronic properties of platinum by decreasing the occupancy of the Pt conducting 5d band. Our findings clearly support the efforts toward understanding the nature of the interaction between polymers and metallic surfaces as well as the impact on technological applications (e.g. in PEMFCs). © 2013 Elsevier Ltd. All rights reserved.

Intravenous Tramadol Injection has no Antinociceptive Effect in Horses Undergoing Electrical and Thermal Stimuli

Tramadol combines an μ opiate and nonopiate analgesic mechanism and might be a useful opioid in horses. This study evaluated the effect of IV tramadol on spontaneous locomotor activity (SLA), head height, and hoof withdrawal reflex (HWR) after thermal or electrical nociceptive stimuli in horses. Doses of 2 and 3 mg/kg tramadol did not affect HWR after electrical and thermal nociception, respectively. Head height and SLA were not modified by 2, 3, or 5 mg/kg tramadol. All horses treated with 5 mg/kg tramadol developed trembling in pectoral triceps, and gluteal muscles and adopted a base-wide stance. In conclusion, 2 and 3 mg/kg tramadol IV neither induced sedation nor prolonged HWR after thermal or electrical stimuli in conscious horses. The dose of 5 mg/kg tramadol IV produced excitement, and it is apparently unsuitable for clinical use. © 2013 Elsevier Inc. All rights reserved.

First-Principles Study of Pressure-Induced Phase Transitions and Electronic Properties of Ag2MoO4

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Structural and electronic analysis of the atomic scale nucleation of Ag on alpha-Ag2WO4 induced by electron irradiation

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Electrical and Superconducting Properties in Lap Joints for YBCO Tapes

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Correlation between structural and electronic order-disorder effects and optical properties in ZnO nanocrystals

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

A DFT Study of Structural and Electronic Properties of ZnS Polymorphs and its Pressure-Induced Phase Transitions

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Diagnóstico da gestão e do gerenciamento dos resíduos eletroeletrônicos gerados no campus da Faculdade de Engenharia de Guaratinguetá/Unesp

Currently, in Brazil, the quantity and quality of new types of wastes, discarded without criteria in urban areas, has been responsible for considerable impacts on public health and the environment. According to a report prepared by the Institute of Applied Economic Research (IPEA), the country loses about U.S. $ 8 billion annually, due lack of waste recycling, which go directly into landfills or dumps. Among these solid wastes are waste electrical and electronic equipment (WEEE), whose characteristics are complex, by having in its composition substances of high value-added and other health hazards which require different treatment of household waste. Aiming to fill the gap in Brazilian environmental legislation, on 02/08/2010, was sanctioned the National Policy Solid Waste (Law No. 12,305), already regulated on 23/12/2010 (Decree No 7404), whose based on the following principles:reduction of waste generation and toxicity of shared responsibility, proper planning management, social inclusion of waste pickers and sustainable production and consumption. Given the above, this work presented here, aims generally present a diagnosis of the current situation of electronic waste generated in the Faculty of Engineering, Campus Guaratinguetá, FEG / UNESP, to provide data for management and management of these waste, based on sustainability, the economic losses and minimizing environmental impacts and public health related to the flow and the improper disposal of these wastes

Electrical and electrochemical measurements in nanostructured films of polythiophene derivatives

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)