The Influence of Smoking Status on Exhaled Breath Profiles in Asthma and COPD Patients

Breath analysis using eNose technology can be used to discriminate between asthma and COPD patients, but it remains unclear whether results are influenced by smoking status. We aim to study whether eNose can discriminate between ever- vs. never-smokers and smoking <24 vs. >24 h before the exhaled breath, and if smoking can be considered a confounder that influences eNose results. We performed a cross-sectional analysis in adults with asthma or chronic obstructive pulmonary disease (COPD), and healthy controls. Ever-smokers were defined as patients with current or past smoking habits. eNose measurements were performed by using the SpiroNose. The principal component (PC) described the eNose signals, and linear discriminant analysis determined if PCs classified ever-smokers vs. never-smokers and smoking <24 vs. >24 h. The area under the receiver–operator characteristic curve (AUC) assessed the accuracy of the models. We selected 593 ever-smokers (167 smoked <24 h before measurement) and 303 never-smokers and measured the exhaled breath profiles of discriminated ever- and never-smokers (AUC: 0.74; 95% CI: 0.66–0.81), and no cigarette consumption <24h (AUC 0.54, 95% CI: 0.43–0.65). In healthy controls, the eNose did not discriminate between ever or never-smokers (AUC 0.54; 95% CI: 0.49–0.60) and recent cigarette consumption (AUC 0.60; 95% CI: 0.50–0.69). The eNose could distinguish between ever and never-smokers in asthma and COPD patients, but not recent smokers. Recent smoking is not a confounding factor of eNose breath profiles.     

Design of Phase‐Vanishing Reactions

Phase‐vanishing reactions utilize a perfluorinated solvent as a liquid membrane to separate a substrate and a reagent. Since their introduction less than ten years ago, phase‐vanishing reactions have become a valuable alternative to reactions that require a slow addition of a reagent. A variety of experimental designs allow reactions to be carried out under anhydrous conditions, under photolytic conditions, under solvent‐free conditions, with a gas as a reagent, and under reflux.     

Closed loop folding units from structural alignments: Experimental foldons revisited

Nonoverlapping closed loops of around 25–35 amino acids formed via nonlocal interactions at the loop ends have been proposed as an important unit of protein structure. This hypothesis is significant as such short loops can fold quickly and so would not be bound by the Leventhal paradox, giving insight into the possible nature of the funnel in protein folding. Previously, these closed loops have been identified either by sequence analysis (conservation and autocorrelation) or studies of the geometry of individual proteins. Given the potential significance of the closed loop hypothesis, we have explored a new strategy for determining closed loops from the insertions identified by the structural alignment of proteins sharing the same overall fold. We determined the locations of the closed loops in 37 pairs of proteins and obtained excellent agreement with previously published closed loops. The relevance of NMR structures to closed loop determination is briefly discussed. For cytochrome c, cytochrome b₅₆₂ and triosephophate isomerase, independent folding units have been determined on the basis of hydrogen exchange experiments and misincorporation proton‐alkyl exchange experiments. The correspondence between these experimentally derived foldons and the theoretically derived closed loops indicates that the closed loop hypothesis may provide a useful framework for analyzing such experimental data. © 2010 Wiley Periodicals, Inc. J Comput Chem, 2010     

Structural investigation of Titan tholins by solution-state 1H, 13C, and 15N NMR: one-dimensional and decoupling experiments

Titan, the largest moon of Saturn, is enveloped in a reddish brown organic haze. Titan haze is presumed to be formed from methane and nitrogen (CH(4) and N(2)) in Titan's upper atmosphere through energetic photochemistry and particle bombardment. Though Titan haze has been directly investigated using methods including the Cassini mission, its formation mechanism and the contributing chemical structures and prebiotic potential are still not well developed. We report here the structural investigation of the (13)C and (15)N labeled, simulated Titan haze aerosol (tholin) by solution-state NMR. The one-dimensional (1)H, (13)C, and (15)N NMR spectra and decoupling experiments indicate that the tholin sample contains amine, nitrile, imine, and N-heteroaromatic compounds of tremendous import in understanding complex organic chemistry in anaerobic, extraterrestrial environments.     

The neutrino mixing matrix could (almost) be diagonal with entries ±1

It is consistent with the measurement of _θ13∼0.15${\theta }_{13}\sim 0.15$ by Daya Bay to suppose that, in addition to being unitary, the neutrino mixing matrix is also almost Hermitian, and thereby only a small perturbation from diag(+1,−1,−1)$\mathrm{diag}(+1,-1,-1)$ in a suitable basis. We suggest this possibility simply as an easily falsifiable ansatz, as well as to offer a potentially useful means of organizing the experimental data. We explore the phenomenological implications of this ansatz and parametrize one type of deviation from the leading order relation |_Ve3|≈|_Vτ1|$|V_{e3}|\approx |V_{\tau 1}|$. We also emphasize the group-invariant angle between orthogonal matrices as a means of comparing to data. The discussion is purely phenomenological, without any attempt to derive the condition V^†≈V$V^{\mathrm{†}}\approx V$ from a fundamental theory.     

High-resolution computed tomography of a turbulent reacting flow

Computed tomography (CT) has the potential to greatly enhance our understanding of the turbulent flow structures, the combustion chemistry, and the interactions between the two, which challenge us in our attempts to understand and model the details of turbulent combustion. Here, we present high-resolution and fully three-dimensional measurements of the flame surface of a turbulent reacting flow. The CT-reconstructed images show the flame front, at a single instant in time, of a turbulent, premixed propane/air flame. The significance of this powerful experimental tool is to provide new insight into turbulent combustion, allowing for the development of cleaner burning, higher power, and more efficient combustors.     

Nanometer-scale optical imaging of epitaxially grown GaN and InN islands using apertureless near-field microscopy

Nanometer-scale chemical imaging of epitaxially grown gallium nitride (GaN) and indium nitride (InN) islands is performed using scattering-type apertureless near-field scanning optical microscopy (ANSOM). The scattering of 633 nm laser radiation is modulated by an oscillating metallic probe, and the scattered radiation is detected by homodyne amplification, followed by high-harmonic demodulation, yielding optical near-field scattering maps with a spatial resolution better than 30 nm. The image contrast between InN and GaN, and the tip-sample distance dependence, can be qualitatively explained by a simple dipole-coupling model. The ANSOM images of InN and GaN also show structures that are absent in the topographic counterpart, and these substructures are explained by the variations of the local dielectric environment of InN and GaN.     

Photoacoustic spectrometer for accurate,continuous measurements of atmospheric carbon dioxide concentration

We have developed a portable photoacoustic spectrometer that offers routine, precise and accurate measurements of the molar concentration of atmospheric carbon. The temperature-controlled spectrometer continuously samples dried atmospheric air and employs an intensity-modulated distributed feedback laser and fiber amplifier operating near 1.57 µm. For measurements of carbon dioxide in air, we demonstrate a measurement precision (60-s averaging time) of 0.15 µmol mol^?1 and achieve a standard uncertainty of 0.8 µmol mol^?1 by calibrating the analyzer response in terms of certified gas mixtures. We also investigate how water vapor affects the photoacoustic signal by promoting collisional relaxation of the carbon dioxide.     

Multidimensional separation of tryptic peptides from human serum proteins using reversed‐phase,strong cation exchange,weak anion exchange,and fused‐core fluorinated stationary phases

Proteome profiling of crude serum is a challenging task due to the wide dynamic range of protein concentrations and the presence of high‐abundance proteins, which cover >90% of the total protein mass in serum. Peptide fractionation on strong cation exchange, weak anion exchange in the electrostatic repulsion hydrophilic interaction chromatography (ERLIC) mode, RP C₁₈ at pH 2.5 (low pH), fused‐core fluorinated at pH 2.5, and RP C₁₈ at pH 9.7 (high pH) stationary phases resulted in two to three times more identified proteins and three to four times more identified peptides in comparison with 1D nanoChip‐LC–MS/MS quadrupole TOF analysis (45 proteins, 185 peptides). The largest number of peptides and proteins was identified after prefractionation in the ERLIC mode due to the more uniform distribution of peptides among the collected fractions and on the RP column at high pH due to the high efficiency of RP separations and the complementary selectivity of both techniques to low‐pH RP chromatography. A 3D separation scheme combining ERLIC, high‐pH RP, and low‐pH nanoChip‐LC–MS/MS for crude serum proteome profiling resulted in the identification of 208 proteins and 1088 peptides with the lowest reported concentration of 11 ng/mL for heat shock protein 74.     

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