Extraction of ground-state decay constant from dispersive sum rules: QCD vs potential models

We compare the extraction of the ground-state decay constant from the two-point correlator in QCD and in potential models and show that the results obtained at each step of the extraction procedure follow a very similar pattern. We prove that allowing for a Borel-parameter-dependent effective continuum threshold yields two essential improvements compared to employing a Borel-parameter-independent quantity: (i) It reduces considerably the (unphysical) dependence of the extracted bound-state mass and the decay constant on the Borel parameter. (ii) In a potential model, where the actual value of the decay constant is known from the Schrödinger equation, a Borel-parameter-dependent threshold leads to an improvement of the accuracy of the extraction procedure. Our findings suggest that in QCD a Borel-parameter-dependent threshold leads to a more reliable and accurate determination of bound-state characteristics by the method of sum rules.     

Cavitand-based nanoscale coordination cages

This communication reports design, self-assembly, solution, and solid-state characterization of nanoscale coordination cages formed by tetradentate cavitand ligands and appropriate metal precursors. The preorganization of the cavitand ligand in terms of structural rigidity and relative orientation of the pyridyl units leads to the exclusive formation of coordination cages in a wide temperature and concentration range. Desired features of the cage self-assembly process, such as reversibility in the presence of a competitive ligand and self-recognition of the cavitand components, have been assessed.     

Synthetic resins as designable supports for metal-based chemistry: The issue of their nanomorphology and molecular accessibility

Macromolecular cross-linked ligands containing pyridyl pendant groups are characterized by a combination of inverse steric exclusion chromatography, ESR and NMR spectrometries in water and methanol. On the basis of the relevant results, methanol is seen to be clearly the best swelling agent and it is chosen as medium for Cu^II coordination.     

15N magnetic resonance hyperpolarization via the reaction of parahydrogen with 15N-propargylcholine

(15)N-Propargylcholine has been synthesized and hydrogenated with para-H(2). Through the application of a field cycling procedure, parahydrogen spin order is transferred to the (15)N resonance. Among the different isomers formed upon hydrogenation of (15)N-propargylcholine, only the nontransposed derivative contributes to the observed N-15 enhanced emission signal. The parahydrogen-induced polarization factor is about 3000. The precise identification of the isomer responsible for the observed (15)N enhancement has been attained through a retro-INEPT ((15)N-(1)H) experiment. T(1) of the hyperpolarized (15)N resonance has been estimated to be ca. 150 s, i.e., similar to that reported for the parent propargylcholine (144 s). Experimental results are accompanied by theoretical calculations that stress the role of scalar coupling constants (J(HN) and J(HH)) and of the field dependence in the formation of the observed (15)N polarized signal. Insights into the good cellular uptake of the compound have been gained.     

Reactions of conjugated arylazocycloalkenes with grignard reagents—43: Parallel and antiparallel attacks of grignard hydrocarbon moiety on some arylazocycloalkenes

Conjugated phenylazocycloalkenes sterically hindered towards the antiparallel attach react with PhMgBr via parallel attack, to givesyn-phenylhydrazones. When such a sterical hindrance is absent in the azoalkenes, the reaction occurs via antiparallel attack even when the arylmagnesium bromide bears a particularly hindering aryl group. The conformation of thesyn-phenylhydrazones obtained by the above reactions and those of the corresponding ketones are discussed with the aid of the benzylic proton NMR analysis.     

Breathing Rhythm Variations during Wash-In Do Not Influence Exhaled Volatile Organic Compound Profile Analyzed by an Electronic Nose

E-noses are innovative tools used for exhaled volatile organic compound (VOC) analysis, which have shown their potential in several diseases. Before obtaining a full validation of these instruments in clinical settings, a number of methodological issues still have to be established. We aimed to assess whether variations in breathing rhythm during wash-in with VOC-filtered air before exhaled air collection reflect changes in the exhaled VOC profile when analyzed by an e-nose (Cyranose 320). We enrolled 20 normal subjects and randomly collected their exhaled breath at three different breathing rhythms during wash-in: (a) normal rhythm (respiratory rate (RR) between 12 and 18/min), (b) fast rhythm (RR > 25/min) and (c) slow rhythm (RR < 10/min). Exhaled breath was collected by a previously validated method (Dragonieri et al., J. Bras. Pneumol. 2016) and analyzed by the e-nose. Using principal component analysis (PCA), no significant variations in the exhaled VOC profile were shown among the three breathing rhythms. Subsequent linear discriminant analysis (LDA) confirmed the above findings, with a cross-validated accuracy of 45% (p = ns). We concluded that the exhaled VOC profile, analyzed by an e-nose, is not influenced by variations in breathing rhythm during wash-in.