The Use of Poly(Sodium N-Undecanoyl-l-Leucylvalinate), Poly(Sodium N-Undecanoyl-l-Leucinate) and Poly(Sodium N-Undecanoyl-l-Valinate) Surfactants as Chiral Selectors for Determination of Enantiomeric Composition of Samples by Multivariate Regression Modeling of Fluorescence Spectral Data

Steady-state fluorescence spectroscopy was employed to investigate the use of chiral polymeric surfactants as chiral selectors in chiral analysis by multivariate regression modeling of spectral data. Partial-least-squares regression modeling (PLS-1) was used to correlate changes in the fluorescence spectral data of 1,1'-bi-2-naphthol (BOH), 1,1'-binaphthyl-2,2'-diamine (BNA), or 2,2,2-trifluoroanthrylethanol (TFA) in the presence of poly(sodium N-undecanoyl-L-leucylvalinate), poly(sodium N-undecanoyl-L-leucinate) or poly(sodium N-undecanoyl-L-valinate) as the enantiomeric composition of the chiral analytes was varied. The regression models produced from the spectral data were validated by determining the enantiomeric composition of independently prepared test solutions. The ability of the model to correctly predict the enantiomeric composition of future samples was evaluated using the root-mean-square percent-relative error (RMS%RE) of prediction. In terms of RMS%RE, the ability of the model to accurately predict the enantiomeric composition of future samples was dependent on the chiral analyte, the polymeric surfactant used, and the surfactant medium, and ranged between 1.57 and 6.10%. Chiral analyte concentrations as low as 5 x 10(-6) M were found to give regression models with good predictability.     

Study of Nanocrystalline BiMnO3‐‐PbTiO3: Synthesis,Structural Elucidation,and Magnetic Characterization of the Whole Solid Solution

In the last ten years, the study and the search for new multiferroic materials have been a major challenge due to their potential applications in electronic technology. In this way, bismuth‐containing perovskites (BiMO₃), and particularly those in which the metal M position is occupied by a magnetically active cation, have been extensively investigated as possible multiferroic materials. From the point of view of synthesis, only a few of the possible bismuth‐containing perovskites can be prepared by conventional methods but at high pressures. Herein, the preparation of one of these potential multiferroic systems, the solid solution xBiMnO₃‐(1?x)PbTiO₃ by mechanosynthesis is reported. Note that this synthetic method allows the oxides with high x values, and more particularly the BiMnO₃ phase, to be obtained as nanocrystalline phases, in a single step and at room temperature without the application of external pressure. These results confirm that, in the case of Bi perovskites, mechanosynthesis is a good alternative to high‐pressure synthesis. These materials have been studied from the point of view of their structural characteristics by precession electron diffraction and magnetic property measurements.     

Medlar (<Emphasis Type="Italic">Achras Sapota</Emphasis> L.) as Oral Contrast Agent for MRI of the Gastrointestinal Tract

Magnetic resonance imaging (MRI) of the gastrointestinal (GI) tract is still limited due to the lack of widely available oral contrast agents (OCA). The availability of OCA for MRI of the GI tract is a necessity; different fruits might be implemented as OCA in order to solve this need throughout the year. The objective of this study is to present an alternative fruit as a clinical OCA for MRI of the GI tract, Achras sapota L. (common medlar). Both physical and chemical characterization of the medlar was performed. It was also tested in situ and in vivo as an OCA for MRI of the GI tract. Results showed that this fruit had a diamagnetic behavior, although it has enough iron, manganese and copper to contrast the GI tract in T ₁- and T ₂-weighted images. Thus we conclude that the medlar fruit has shown a potential as an OCA in GI evaluation by MRI, so it can be considered as an alternative in complementation of natural OCA.     

Community structure in real-world networks from a non-parametrical synchronization-based dynamical approach

This work analyzes the problem of community structure in real-world networks based on the synchronization of nonidentical coupled chaotic Rössler oscillators each one characterized by a defined natural frequency, and coupled according to a predefined network topology. The interaction scheme contemplates an uniformly increasing coupling force to simulate a society in which the association between the agents grows in time. To enhance the stability of the correlated states that could emerge from the synchronization process, we propose a parameterless mechanism that adapts the characteristic frequencies of coupled oscillators according to a dynamic connectivity matrix deduced from correlated data. We show that the characteristic frequency vector that results from the adaptation mechanism reveals the underlying community structure present in the network.     

Clocking ultrafast wave packet dynamics in molecules through UV-induced symmetry breaking

We investigate the use of UV-pump-UV-probe schemes to trace the evolution of nuclear wave packets in excited molecular states by analyzing the asymmetry of the electron angular distributions resulting from dissociative ionization. The asymmetry results from the coherent superposition of gerade and ungerade states of the remaining molecular ion in the region where the nuclear wave packet launched by the pump pulse in the neutral molecule is located. Hence, the variation of this asymmetry with the time delay between the pump and the probe pulses parallels that of the moving wave packet and, consequently, can be used to clock its field-free evolution. The performance of this method is illustrated for the H(2) molecule.     

Preparation of modified peptides: direct conversion of α-amino acids into β-amino aldehydes

A direct method for the transformation of α-amino acids into β-amino aldehydes was developed, and applied to the modification of the C-terminal residue of peptides. The method takes place in good yields and under mild conditions. The application of this methodology to the preparation of small peptides with γ-amino alcohol units, which are precursors of analogues of peptaibol antibiotics, is also described.     

Stereoselective Conversion of Sugar Derivatives into C-nucleosides

A two-step process for the transformation of readily available carbohydrate derivatives into acyclic C-nucleosides is described. The carbohydrate undergoes a scission process that is followed by the addition of aryl ketone derivatives, allowing the introduction of a variety of aryl rings. The resulting acyclic C-nucleosides are transformed into 2-deoxy cyclic pyranosides in good yield and excellent stereoselectivity.     

Multi-Matrix Approach for the Analysis of Bicalutamide Residues in Oncology Centers by HPLC–FLD

Cytostatics are toxic pharmaceuticals, whose presence in surfaces puts healthcare workers at risk. These drugs might also end up in hospital effluents (HWW), potentially damaging aquatic ecosystems. Bicalutamide is a cytostatic extensively consumed worldwide, but few analytical methods exist for its quantification and most of them require advanced techniques, such as liquid chromatography mass spectrometry (LC-MS), which are very complex and expensive for large monitoring studies. Therefore, a simple but reliable multi-matrix high performance liquid chromatographic method, with fluorescence detection, was developed and validated to rapidly screen abnormal concentrations of bicalutamide in HWW and relevant contamination levels of bicalutamide in indoor surfaces (>100 pg/cm²), prior to confirmation by LC-MS. The method presents good linearity and relatively low method detection limits (HWW: 0.14 ng/mL; surfaces: 0.28 pg/cm²). Global uncertainty was below 20% for concentrations higher than 25 ng/mL (HWW) and 50 pg/cm² (surfaces); global uncertainty was little affected by the matrix. Therefore, a multi-matrix assessment could be achieved with this method, thus contributing to a holistic quantification of bicalutamide along the cytostatic circuit. Bicalutamide was not detected in any of the grab samples from a Portuguese hospital, but an enlarged sampling is required to conclude about its occurrence and exposure risks.     

Hypernuclear physics at overline{mbox{P}} anda

Samples obtained as a result of the valleriite synthesis process under different conditions (temperature and proportion Cu:Fe:Mg in the initial mixture) were investigated by ⁵⁷Fe M?ssbauer spectroscopy with attraction data of X-ray diffraction. Parameters of hyperfine interactions for valleriite were determined and crystal chemical identification of ⁵⁷Fe subspectra was carried out. It was found that valleriite was formed in samples synthesized at 150°C and 180°C and not formed in samples synthesized at 250°C.