18,235 research outputs found
Riccati nonhermiticity with application to the Morse potential
A supersymmetric one-dimensional matrix procedure similar to relationships of
the same type between Dirac and Schrodinger equations in particle physics is
described at the general level. By this means we are able to introduce a
nonhermitic Hamiltonian having the imaginary part proportional to the solution
of a Riccati equation of the Witten type. The procedure is applied to the
exactly solvable Morse potential introducing in this way the corresponding
nonhermitic Morse problem. A possible application is to molecular diffraction
in evanescent waves over nanostructured surfacesComment: 8 pages, 4 figure
Classical harmonic oscillator with Dirac-like parameters and possible applications
We obtain a class of parametric oscillation modes that we call K-modes with
damping and absorption that are connected to the classical harmonic oscillator
modes through the "supersymmetric" one-dimensional matrix procedure similar to
relationships of the same type between Dirac and Schroedinger equations in
particle physics. When a single coupling parameter, denoted by K, is used, it
characterizes both the damping and the dissipative features of these modes.
Generalizations to several K parameters are also possible and lead to
analytical results. If the problem is passed to the physical optics (and/or
acoustics) context by switching from the oscillator equation to the
corresponding Helmholtz equation, one may hope to detect the K-modes as
waveguide modes of specially designed waveguides and/or cavitiesComment: 14 pages, 9 figures, revised, accepted at J. Phys.
MECHANISTIC STUDY OF A RUTHENIUM HYDRIDE COMPLEX OF TYPE [RuH(CO)(N-N)(PR3)2]+ AS CATALYST PRECURSOR FOR THE HYDROFORMYLATION REACTION OF 1-HEXENE
Indexación: Web of Science; Scopus; Scielo.The catalytic activity of systems of type [RuH(CO)(N-N)(PR3)(2)](+) was evaluated in the hydroformylation reaction of 1-hexene. The observed activity is explained through a reaction mechanism on the basis of the quantum theory. The mechanism included total energy calculations for each of the intermediaries of the elemental steps considered in the catalytic cycle. The deactivation of the catalyst precursors takes place via dissociation of the polypyridine ligand and the subsequent formation of thermodynamically stable species, such as RuH(CO)(3)(PPh3)(2) and RuH3(CO)(PPh3)(2), which interrupt the catalytic cycle. In addition, the theoretical study allows to explain the observed regioselectivity which is defined in two steps: (a) the hydride migration reaction with an anti-Markovnikov orientation to produce the alkyl-linear-complex (3.1a), which is more stable by 19.4 kJ/mol than the Markovnikov orientation (alkyl-branched-complex) (3.1b); (b) the carbon monoxide insertion step generates the carbonyl alkyl-linear specie (4.1a) which is more stable by 9.5 kJ/mol than the alternative species (4.1b), determining the preferred formation of heptanal in the hydroformylation of 1-hexene.
Palabras clavehttp://ref.scielo.org/db4yc
Simplified Metrics Calculation for Soft Bit Detection in DVB-T2
The constellation rotation and cyclic quadrature component delay (RQD) technique has been adopted in the second generation terrestrial digital video broadcasting (DVB-T2) standard. It improves the system performance under severe propagation conditions, but introduces serious complexity problems in the hardware implementation of the detection process. In this paper, we present a simplified scheme that greatly reduces the complexity of the demapper by simplifying the soft bit metrics computation having a negligible overall system performance loss
1.5V fully programmable CMOS Membership Function Generator Circuit with proportional DC-voltage control
A Membership Function Generator Circuit (MFGC) with bias supply of 1.5 Volts and independent DC-voltage programmable functionalities is presented. The realization is based on a programmable differential current mirror and three compact voltage-to-current converters, allowing continuous and quasi-linear adjustment of the center position, height, width and slopes of the triangular/trapezoidal output waveforms. HSPICE simulation results of the proposed circuit using the parameters of a double-poly, three metal layers, 0.5 μm CMOS technology validate the functionality of the proposed architecture, which exhibits a maximum deviation of the linearity in the programmability of 7 %
High Gain Amplifier with Enhanced Cascoded Compensation
A two-stage CMOS operational amplifier with both, gain-boosting and indirect current feedback frequency compensation performed by means of regulated cascode amplifiers, is presented. By using quasi-floating-gate transistors (QFGT) the supply requirements, the number of capacitors and the size of the compensation capacitors respect to other Miller schemes are reduced. A prototype was fabricated using a 0.5 μm technology, resulting, for a load of 45 pF and supply voltage of 1.65 V, in open-loop-gain of 129 dB, 23 MHz of gain-bandwidth product, 60o phase margin, 675 μW power consumption and 1% settling time of 28 ns
Effects of Silage Preparation and Microbial Silage Additives on Biogas Production from Whole Crop Maize Silage
Biogas applications based on the production of energy from renewable resources have emerged in the past years due to several countries setting quotas for bioenergy thus promoting anaerobic digestion for heat and electricity generation. Maize is one of the most common substrates for biogas production based on energy crops because of the high yields per hectare with ensiling as the preferred method for storage. Experiments were performed to investigate whether conditions during the silage fermentation and the addition of starter cultures can affect the biogas yields
Theoretical and experimental SERS study of thiocarbonyl compounds adsorbed on metal nanoparticles
Thiocarbonyl compounds have been reported to exhibit interesting biological and pharmacological properties but they are many often characterized by their toxicological effects. However the chemistry of thiobenzoic acid (TBA) and thiobenzamide (TB) has not been fully studied yet. Some of the biological studies of TBA are related to the tautomerism of thiocarboxylic acids and the important role that the -C(=O)-S and -C(=S)-O functional groups play in the catalytic activities of enzymes such as cysteine or serine proteases.1
From a chemical point of view, thiocarboxylates are an interesting type of molecules having two different donor atoms, a soft sulfur donor atom and a hard oxygen donor one. The presence of these unlike groups can lead to the bonding with metal surfaces. Likewise the interaction of thiobenzamide and their derivatives with metals is of great interest because both the sulfur and nitrogen atoms are also able to coordinate with the surface. Therefore the high affinity of these molecules for metal surfaces makes them suitable SERS target adsorbates. Taking advantage of the fact that SERS spectroscopy is both surface selective and highly sensitive we have attempted to determine the molecular structure of TBA and TB once they are adsorbed on the metal. The main objective of this work is focussed on discussing the observed vibrational wavenumber shifts of TBA and TB upon adsorption on silver nanoparticles. In this work the SERS substrates have been prepared by using different colloidal silver solutions according to the method described by Creighton et al.2 and Leopold and Lendl.3
The analysis of the vibrational wavenumbers shifts of the Raman and SERS spectra allow us to know the adsorption process (Figure 1). In the case of TBA, the wavenumber of the SERS band assigned to (C=O) vibrational mode shows an important blue shift up to 40 cm-1 with respect to the Raman whereas the (C-S) band undergoes a red shift up to 40 cm-1. These results suggest a unidentate coordination of TBA to the silver surface through the sulfur atom.
On the other hand, the SERS band assigned in the case of TB to Amide III (mainly (CN)) exhibits a significant blueshift up to 41 cm-1, and the SERS band assigned to Amide I (mainly (CS)) shows a red shift up to 11 cm-1. These wavenumber shifts indicate that TB interacts to the silver surface through the sulfur atom. Interestingly, in previous SERS studies of pyridinecarboxamides and benzamide we have observed that some SERS bands assigned to 1;ring, Amide I (mainly (C=O)) and Amide III (mainly C-N)) show wavenumber shifts of +50, -50 and +10 cm-1, respectively, which were attributed to the deprotonation of carboxamide group.4,5
Finally, in order to verify experimental results DFT calculations have been carried out for different silver complexes of TBA and TB concluding that the unidentate coordination is the most likely interaction of both of them.Universidad de Málaga. Campus de Excelencia Internacional Andalucía Tech
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