Fast atom bombardment mass spectrometric analysis of the partial ozonolysis products of poly(isoprene) and poly(chloroprene)

The low molecular weight compounds formed by partial ozonolysis of poly(isoprene) and poly(chloroprene) were analyzed by fast atom bombardment mass spectrometry (FABMS). In the poly(chloroprene) case, the ozonized mixtures were treated with piperidine before the MS analysis to transform in amide end groups the reactive acyl chlorides formed by the cleavage of double bonds along the main chain. Only one family of compounds having carboxyl and ketone or carboxyl and amide end groups were obtained from the ozonolysis of poly(isoprene) and poly(chloroprene), respectively. The assigned structures were confirmed by FAB-MS analysis of the GPC separation fractions [poly(chloroprene)] or by FAB-MS of the KOH-doped ozonolysis mixtures [poly(isoprene)]. It has been also ascertained, by GPC experiments, that poly(chloroprene) decomposes more rapidly than poly(isoprene) and poly(butadiene).     

Simultaneous determination of concentration,diffusion coefficient and number of electrons for electroactive species by combining suitable electroanalytical measurements

The electroanalytical method described for the simultaneous determination of concentration, the number of electrons involved in the redox process and diffusion coefficient is based on evaluation of the ratios between the currents recorded for the analyte and for an easily standardized reference species dissolved in the same medium. Three different electroanalytical techniques are used in which the currents exhibit, for two techniques at least, different dependences on both the diffusion coefficient and electron number. The approach is applicable to diffusion-controlled processes, regardless of the degree of reversibility involved. Reliability tests with electroactive organic compounds dissolved in dimethyl sulphoxide show that both accuracy and precision are within 10% depending on the chosen combination of techniques.     

Metabolic Profile of Agropyron repens (L.) P. Beauv. Rhizome Herbal Tea by HPLC-PDA-ESI-MS/MS Analysis

Agropyron repens (L.) P. Beauv. (couch grass) is a world-wide infesting rhizomatous plant with pharmacological applications. Chemical research is focused on its allelopathic and anti-inflammatory components, which are mainly present in the essential oil. Conversely, the aqueous extracts have been sparingly investigated, although the herbal tea is by far the most used formulation. To fill the gap, the metabolic profile of Agropyron repens rhizome herbal tea was investigated by electrospray ionization (ESI) tandem–mass spectrometry (MS/MS); the phenolic profile was investigated by HPLC-PDA-ESI-MS/MS. ESI-MS fingerprinting was provided, evidencing diagnostic ions for saccharides, organic acids and amino acids. The HPLC-PDA-ESI-MS/MS analysis evidenced at least 20 characteristic phenolic compounds, the most representative being caffeoyl and feruloyl quinic esters, followed by coumaric, caffeic and ferulic acids, and hesperidin among flavonoids. In addition, the essential amino acid tryptophan was identified for the first time. The results suggest new perspectives of applications for Agropyron repens rhizome.     

A fully symmetric nonlinear biorthogonal decomposition theory for random fields

We present a general approach for nonlinear biorthogonal decomposition of random fields. The mathematical theory is developed based on a fully symmetric operator framework that unifies different types of expansions and allows for a simple formulation of necessary and sufficient conditions for their completeness. The key idea of the method relies on an equivalence between nonlinear mappings of Hilbert spaces and local inner products, i.e. inner products that may be functionals of the random field being decomposed. This extends previous work on the subject and allows for an effective formulation of field-dependent and field-independent representations. The proposed new methodology can be applied in many areas of mathematical physics, for stochastic low-dimensional modelling of partial differential equations and dimensionality reduction of complex nonlinear phenomena. An application to a transient stochastic heat conduction problem in a one-dimensional infinite medium is presented and discussed.     

Interplay between structure and size in a critical crystal nucleus

We study the kinetics of crystal nucleation of an undercooled Lennard-Jones liquid using various path-sampling methods. We obtain the rate constant and elucidate the pathways for crystal nucleation. Analysis of the path ensemble reveals that crystal nucleation occurs along many different pathways, in which critical solid nuclei can be small, compact, and face centered cubic, but also large, less ordered, and more body centered cubic. The reaction coordinate thus includes, besides the cluster size, also the quality of the crystal structure.     

Evaluation of the acoustic performance of classrooms in public schools

This paper presents the results of an evaluation of acoustic comfort of classrooms built according to a standard design. Three constructive designs located in the metropolitan area of Curitiba (Brazil) have been evaluated, two schools built under each of these three designs, in a total of six schools. The acoustic quality of the classrooms have been analyzed based on measurements of the reverberation time, sound pressure level inside and outside the classrooms, and sound insulation. Measurements of ambient noise (external and internal) followed the Brazilian Standards NBR 10151 and NBR 10152. Measurement of reverberation time and sound insulation followed the international Standards ISO 140-4, ISO 140-5, ISO 717-1, and ISO 3382. Results (sound insulation and reverberation time) have been compared with reference values found in the Brazilian Standard NBR 1279, and in the Standards ANSI S12.60 and DIN 18041. Results reveal poor acoustical quality of the surveyed classrooms, for all 3 constructive designs studied. The surveyed designs do not meet the guidelines of either the Brazilian Standards or of the International Standards employed as references.     

Symmetry-improved CJT effective action

The formalism introduced by Cornwall, Jackiw and Tomboulis (CJT) provides a systematic approach to consistently resumming non-perturbative effects in Quantum Thermal Field Theory. One major limitation of the CJT effective action is that its loopwise expansion introduces residual violations of possible global symmetries, thus giving rise to massive Goldstone bosons in the spontaneously broken phase of the theory. In this paper we develop a novel symmetry-improved CJT formalism for consistently encoding global symmetries in a loopwise expansion. In our formalism, the extremal solutions of the fields and propagators to a loopwise truncated CJT effective action are subject to additional constraints given by the Ward Identities due to global symmetries. By considering a simple O(2)$\mathbb{O}(2)$ scalar model, we show that, unlike other methods, our approach satisfies a number of important field-theoretic properties. In particular, we find that the Goldstone boson resulting from spontaneous symmetry breaking of O(2)$\mathbb{O}(2)$ is massless and the phase transition is a second-order one, already in the Hartree–Fock approximation. After taking the sunset diagrams into account, we show how our approach properly describes the threshold properties of the massless Goldstone boson and the Higgs particle in the loops. Finally, assuming minimal modifications to the Hartree–Fock approximated CJT effective action, we calculate the corresponding symmetry-improved CJT effective potential and discuss the conditions for its uniqueness for scalar-field values away from its minimum.     

A Volume Inequality for Quantum Fisher Information and the Uncertainty Principle

Let A ₁,…,A _N be complex self-adjoint matrices and let ρ be a density matrix. The Robertson uncertainty principle