Analysis,design and simulation of MIM plasmonic filters with different geometries for technical parameters improvement

In this paper, four optical filter topologies based on metal–insulator–metal waveguides are proposed and the designed structures are investigated numerically using finite-difference timedomain method. Triangular-shaped adjunctions have been added to the filter structures to improve their transmission spectrum. These improved structures consist of air as the insulator and silver as the metal. The relative permittivity of metal has been described via the Drude,Drude–Lorentz, and Palik models. The first filter's transmission spectrum shows an acceptable transmittance. In the second optimized filter, the transmission spectrum has been improved. The transmittance spectrum can be tuned through adjusting the edge of the triangle in these four optimized filters. As a result, the bandwidths of resonance spectra can be adjusted. The theory of such tapered structures will be investigated by the tapered transmission line and will be solved with the transfer matrix method. This method shows a better performance and higher transmission efficiency in comparison with the basic structures. On the other hand, the final filter has been chosen as the best one because of its hexagonal resonator. The main reason for having a better result is due to a longer interaction length in comparison with the circular resonator. This in turn creates much better energy coupling and results in higher transmission.     

Electrochemical Oxidation of Lithium Carbonate Generates Singlet Oxygen

Solid alkali metal carbonates are universal passivation layer components of intercalation battery materials and common side products in metal‐O₂ batteries, and are believed to form and decompose reversibly in metal‐O₂/CO₂ cells. In these cathodes, Li₂CO₃ decomposes to CO₂ when exposed to potentials above 3.8 V vs. Li/Li⁺. However, O₂ evolution, as would be expected according to the decomposition reaction 2 Li₂CO₃→4 Li⁺+4 e^?+2 CO₂+O₂, is not detected. O atoms are thus unaccounted for, which was previously ascribed to unidentified parasitic reactions. Here, we show that highly reactive singlet oxygen (¹O₂) forms upon oxidizing Li₂CO₃ in an aprotic electrolyte and therefore does not evolve as O₂. These results have substantial implications for the long‐term cyclability of batteries: they underpin the importance of avoiding ¹O₂ in metal‐O₂ batteries, question the possibility of a reversible metal‐O₂/CO₂ battery based on a carbonate discharge product, and help explain the interfacial reactivity of transition‐metal cathodes with residual Li₂CO₃.     

Enantioselective Organocatalytic Diels–Alder Trapping of Photochemically Generated Hydroxy‐o‐Quinodimethanes

The photoenolization/Diels–Alder strategy offers straightforward access to synthetically valuable benzannulated carbocyclic products. This historical light‐triggered process has never before succumbed to efforts to develop an enantioselective catalytic approach. Herein, we demonstrate how asymmetric organocatalysis provides simple yet effective catalytic tools to intercept photochemically generated hydroxy‐o‐quinodimethanes with high stereoselectivity. We used a chiral organic catalyst, derived from natural cinchona alkaloids, to activate maleimides toward highly stereoselective Diels–Alder reactions. An unconventional mechanism of stereocontrol is operative, wherein the organocatalyst is actively involved in both the photochemical pathway, by leveraging the formation of the reactive photoenol, and the stereoselectivity‐defining event.     

An experimental and theoretical approach to the molecular structure of 3‐{[4‐(3‐Methyl‐3‐phenyl‐cyclobutyl)‐thiazol‐2‐yl]‐hydrazono}‐1,3‐dihydro‐ indol‐2‐one

The title molecule, 3‐{[4‐(3‐methyl‐3‐phenyl‐cyclobutyl)‐thiazol‐2‐yl]‐hydrazono}‐1,3‐dihydro‐indol‐2‐one (C₂₂H₂₀N₄O₁S₁), was prepared and characterized by ¹H NMR, ¹³C NMR, IR, UV–visible, and single‐crystal X‐ray diffraction. The compound crystallizes in the monoclinic space group P21 with a = 8.3401(5), b = 5.6976(3), c = 20.8155(14) Å, and β = 95.144(5)°. Molecular geometry from X‐ray experiment and vibrational frequencies of the title compound in the ground state has been calculated using the Hartree–Fock with 6‐31G(d, p) and density functional method (B3LYP) with 6‐31G(d, p) and 6‐311G(d, p) basis sets, and compared with the experimental data. The calculated results show that optimized geometries can well reproduce the crystal structural parameters, and the theoretical vibrational frequencies values show good agreement with experimental data. Density functional theory calculations of the title compound and thermodynamic properties were performed at B3LYP/6‐31G(d, p) level of theory. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012     

Feasibility study on reducing lead and cadmium absorption by spinach (Spinacia oleracea L.) in a contaminated soil using nanoporous activated carbon

Activated carbons (AC) have been long recognized as prominent absorbents in industries and feature numerous applications in preventing or absorbing the harmful gases and liquids and could be employed for filtration and remediation or even reutilization of chemicals. In order to investigate the capacity of AC in reducing the absorption of heavy metals (HM) including lead (Pb) and cadmium (Cd) and dual complex (Pb?×?Cd) by spinach, a factorial experiment in a completely randomized design with three replications on a pot trial was conducted. Three factors including five levels of AC 0, 5000, 10000, 15000, 20000?mg/kg soil, one concentration level of Pb 4,000?mg/kg soil and one concentration level of cadmium Cd 8?mg/kg soil were tested. The index of heavy metal concentration was calculated in leaf, stem and root and their corresponding dry weights. Results illustrated that in contaminated soils, plants with AC exhibited a superior reduction of absorption of HM vis-à-vis the plants without AC. The foremost result regarding the impact of AC on reducing the concentration of Pb and Cd was observed in 20,000 level of AC. This reveals that AC declined the soil contamination and lessened the accumulation of HM into the shoots and roots. Results suggest that the application of AC may be an eligible solution for decreasing the translocation of HM into the plants.     

Dynamic properties of soy globulin adsorbed films at the air-water interface

In this paper we present surface dilatational properties of soy globulins (beta-conglycinin, glycinin, and reduced glycinin with 10 mM of dithiothreitol (DTT)) adsorbed onto the air-water interface, as a function of adsorption time. The experiments were performed at constant temperature (20 degrees C), pH (8.0), and ionic strength (0.05 M). The surface rheological parameters were measured as a function of protein concentration (ranging from 1 to 1x10(-3)% wt/wt). We found that the surface dilatational modulus, E, increases, and the phase angle, phi, decreases with time, theta, which may be associated with protein adsorption. These phenomena have been related to protein adsorption, unfolding, and/or protein-protein interactions (at long-term adsorption) as a function of protein concentration in solution. From a rheological point of view, the surface viscoelastic characteristics of soy globulin films adsorbed at the air-water interface are practically elastic. The main conclusion is that the dilatational properties of the adsorbed films depend on the molecular structure of the protein.     

Enhancement of mass spectrometric detection of LTC4, LTD4, and LTE4 by derivatization

Several acylating reagents are synthesized and used to introduce quatemary phosphonium or ammonium or ternary sulfonium functions into a simple model of a peptido leukotriene (PLT). One of these reagents was selected for further study with LTE₄, LTD₄, and LTC₄. We demonstrate that acylation of the free amine function of PLTs to produce the 5-triphenylphosphoniumvaleryl-amide (TPPV) derivatives enhances chemical stabilities and significantly increases responses in fast-atom bombardment and continuous-flow liquid secondary ion mass spectrometry (CF-LSIMS) relative to the native PLTs. With high-performance liquid chromatography inlet to CF-LSIMS, we demonstrate the facile detection in selected ion monitoring of the TPPV derivative of 3 pg of LTD₄.     

Acoustic energy relations in Mudejar-Gothic churches

Extensive objective energy-based parameters have been measured in 12 Mudejar-Gothic churches in the south of Spain. Measurements took place in unoccupied churches according to the ISO-3382 standard. Monoaural objective measures in the 125-4000 Hz frequency range and in their spatial distributions were obtained. Acoustic parameters: clarity C80, definition D50, sound strength G and center time Ts have been deduced using impulse response analysis through a maximum length sequence measurement system in each church. These parameters spectrally averaged according to the most extended criteria in auditoria in order to consider acoustic quality were studied as a function of source-receiver distance. The experimental results were compared with predictions given by classical and other existing theoretical models proposed for concert halls and churches. An analytical semi-empirical model based on the measured values of the C80 parameter is proposed in this work for these spaces. The good agreement between predicted values and experimental data for definition, sound strength, and center time in the churches analyzed shows that the model can be used for design predictions and other purposes with reasonable accuracy.