Accuracy and time performance of different schemes of the local field correction PIV technique

Local field correction particle image velocimetry (LFC-PIV) has become an established alternative among high-resolution PIV techniques. Previous works by the authors introduced its implementation by means of simple algorithms. In these works the initial limitation of the method, which was related to the mean distance between particles, was removed. Comparison with other contemporary high-resolution techniques indicates that it offers advantages in robustness and accuracy. The trade-off for this better performance is a heavier computing load. Until now, the computing time that this load requires has not been characterized in detail, since this computing time could be substantially reduced by accepting a reduction in accuracy. This paper focuses on the characterization of the trade-off between time and accuracy, thus offering a new perspective to PIV. In this field, LFC-PIV offers a wide range of possibilities that are described in the paper. Several alternative schemes for LFC-PIV are tested, together with an analysis of the influence of the number of iterations. Performance figures for both accuracy and expended time are given. Metrological evaluation is carried out over synthetic images. A test of coherence between these results and the performance on real images is also presented. The paper shows that even for a limited number of iterations this technique offers advantages.     

Galilean-Covariant Clifford Algebras in the Phase-Space Representation

We apply the Galilean covariant formulation of quantum dynamics to derive the phase-space representation of the Pauli–Schrödinger equation for the density matrix of spin-1/2 particles in the presence of an electromagnetic field. The Liouville operator for the particle with spin follows from using the Wigner–Moyal transformation and a suitable Clifford algebra constructed on the phase space of a (4 + 1)-dimensional space–time with Galilean geometry. Connections with the algebraic formalism of thermofield dynamics are also investigated.     

Synthesis of (Z)-tributylstannyl enynes: systematic studies of Sonogashira cross-coupling reactions between (E)-1-iodovinyl-1-tributylstannanes and terminal acetylenes using amines or tetrabutylammonium hydroxide (TBAOH) as activator

Sonogashira cross-coupling reactions involving (E)-iodo vinyl stannanes and terminal acetylenes were carried out in the presence of Pd(PPh₃)₄, CuI and several amines, affording (Z)-tributylstannyl enynes in moderate to good yields (62-91%). Utilizing the catalytic system containing Pd(PPh₃)₄ (5%), CuI (10%), and TBAOH (40% in aqueous media) as activator, better yields (72-91%) and lower reaction times were achieved.     

Surface miscibility of EPC/DOTAP/DOPE in binary and ternary mixed monolayers

Surface pressure (π)-molecular area (A) curves were used to characterize the packing of pseudo-ternary mixed Langmuir monolayers of egg phosphatidylcholine (EPC), 1,2-dioleoyl-3-trimethylammonium propane (DOTAP) and L-α-dioleoyl phosphatidylethanolamine (DOPE). This pseudo-ternary mixture EPC/DOPE/DOTAP has been successfully employed in liposome formulations designed for DNA non-viral vectors. Pseudo-binary mixtures were also studied as a control. Miscibility behavior was inferred from π-A curves applying the additivity rule by calculating the excess free energy of mixture (ΔG(Exc)). The interaction between the lipids was also deduced from the surface compressional modulus (C(s)(-1)). The deviation from ideality shows dependence on the lipid polar head type and monolayer composition. For lower DOPE concentrations, the forces are predominantly attractive. However, if the monolayer is DOPE rich, the DOTAP presence disturbs the PE-PE intermolecular interaction and the net interaction is then repulsive. The ternary monolayer EPC/DOPE/DOTAP presented itself in two configurations, modulated by the DOPE content, in a similar behavior to the DOPE/DOTAP monolayers. These results contribute to the understanding of the lipid interactions and packing in self-assembled systems associated with the in vitro and in vivo stability of liposomes.     

Host-Guest Interactions between Calixarenes and Cp(2)NbCl(2)

The possible inclusion complexes of Cp₂NbCl₂ into calixarenes hosts have been investigated. The existence of a true inclusion complex in the solid state was confirmed by a combination of NMR, ab-initio calculations, thermogravimetric analysis, FTIR, Raman and PXRD. Ab-initio calculations, ¹H NMR solution and solid state ¹³C CP-MAS NMR results demonstrated that p-sulfonic calix[6]arene does form an inclusion complex with Cp₂NbCl₂. Raman spectroscopy showed, for the inclusion compound of p-sulfonic calix[6]arene-Cp₂NbCl₂, a band between 500 and 850 cm⁻¹ characteristic of Nb-O vibration. This result suggests that Nb(V) may engage in coordination with the oxygen of the sulfonate group, as part of the host-guest interaction. However, it is important to mention that the niobocene dichloride (Cp₂NbCl₂) dissolves in water and undergoes oxidation and hydrolysis processes to yield Cp₂NbCl₂(OH) species. For that reason this band does not exclude that the Nb-O band belongs to Cp₂NbCl₂(OH). Solid State ¹³C CP-MAS NMR and solution ¹H NMR spectroscopies together with ab-initio results showed that Cp₂NbCl₂ is included in the p-sulfonic calix[6]arene cavity, with both Cp rings inside the cavity. In contrast, the solution ¹H NMR results demonstrated that calix[6]arene does not form inclusion complex with Cp₂NbCl₂ in CDCl₃ solution. Cp₂NbCl₂ is not included in the calix[6]arene cavity, possibly due to the lack of sulfonate heads which promote Nb-O interactions and assist the inclusion of Cp₂NbCl₂ into the cavity.     

Vectorized ferrocenes with estrogens and vitamin D2: synthesis, cytotoxic activity and docking studies

Three ferrocene complexes vectorized with estrogens and vitamin D(2) were synthesized and fully characterized by spectroscopic, electrochemical and computational methods. The synthesis of these esters was accomplished by reacting ferrocenoyl chloride with the corresponding ROH groups (R = ergocalciferol, estradiol, estrone). The cytotoxicity of these complexes in HT-29 colon cancer and MCF-7 breast cancer cell lines was investigated in vitro. Only ferrocenoyl 17β-hydroxy-estra-1,3,5(10)-trien-3-olate showed good cytotoxic activity in both cell lines, exceeding those of ferrocenium and ferrocene. In MCF-7, ferrocenoyl 17β-hydroxy-estra-1,3,5(10)-trien-3-olate exhibited remarkable IC(50), in the low micromolar range. This may be attributed to the presence of the estradiol vector. Docking studies between alpha-estrogen receptor ligand binding site and ferrocenoyl 17β-hydroxy-estra-1,3,5(10)-trien-3-olate revealed some key hydrophobic interactions that might explain the cytotoxic activity of this ester.     

A simple and green analytical method for determination of glyphosate in commercial formulations and water by diffuse reflectance spectroscopy

This article describes a simple, inexpensive, and environmentally friendly method for the monitoring of glyphosate using diffuse reflectance spectroscopy. The proposed method is based on reflectance measurements of the colored compound produced from the spot test reaction between glyphosate and p-dimethylaminocinnamaldehyde (p-DAC) in acid medium, using a filter paper as solid support. Experimental designs were used to optimize the analytical conditions. All reflectance measurements were carried out at 495 nm. Under optimal conditions, the glyphosate calibration graphs obtained by plotting the optical density of the reflectance signal (AR) against the concentration were linear in the range 50-500 μg mL(-1), with a correlation coefficient of 0.9987. The limit of detection (LOD) for glyphosate was 7.28 μg mL(-1). The technique was successfully applied to the direct determination of glyphosate in commercial formulations, as well as in water samples (river water, pure water and mineral drinking water) after a previous clean-up or pre-concentration step. Recoveries were in the ranges 93.2-102.6% and 91.3-102.9% for the commercial formulations and water samples, respectively.     

A flexible multicriteria decision-making methodology to support the strategic management of Science,Technology and Innovation research funding programs

Research funding programs are a policy instrument utilized by governments to influence the innovation process. They are usually elaborated, launched and managed by research funding agencies. In order to select the most adequate research projects, agencies often rely on the peer review process.This paper introduces a methodology to support funding decisions based on the peer review process. The methodology involves the use of a multicriteria decision model to support the assessment, evaluation, prioritization and selection of applications, under a multi-step decision-making process, which fits into a strategic management cycle within the agency. The Multiattribute Value Theory, being considered under a Value Focused Thinking approach, provides a basis for the construction of the multicriteria decision model. The good practices in peer review and also a logical framework for program management are considered by the methodology.A pilot study, presented in the paper, involved a retrospective implementation of a peer review process in the context of a program launched by the Ministry for Science, Technology, Innovations and Communications and the National Council of Technological and Scientific Development, in Brazil. The methodology allowed a clear distinction of roles. The agency staff in the role of decision-makers was responsible for making value judgments on behalf of the agency. The experts, in the role of committee members and ad hoc reviewers, contributed with their expertise by providing objective assessments. Such assessments served as a basis for evaluating the applications, characterizing the possible portfolios, and can be considered as data in future program evaluation studies.     

Hopf structure in nambu-lien-algebras

We define and study the Hopf structures in the ternary (and n-ary) Nambu-Lie algebra. The fundamental concepts of 3-coalgebra, 3-bialgebra, and Hopf 3-algebra are introduced. Some examples of the Hopf structures and analyzed. Translated from Teoreticheskaya i Matematicheskaya Fizika, Vol. 114, No. 1, pp. 87–93, January, 1998.