A volatolomic approach using cerumen as biofluid to diagnose bovine intoxication by Stryphnodendron rotundifolium

An innovative volatolomic approach employs the detection of biomarkers present in cerumen (earwax) to identify cattle intoxication by Stryphnodendron rotundifolium Mart., Fabaceae (popularly known as barbatimão). S. rotundifolium is a poisonous plant with the toxic compound undefined and widely distributed throughout the Brazilian territory. Cerumen samples from cattle of two local Brazilian breeds (‘Curraleiro Pé-Duro’ and ‘Pantaneiro’) were collected during an experimental intoxication protocol and analyzed using headspace (HS)/GC–MS followed by multivariate analysis (genetic algorithm for a partial least squares, cluster analysis, and classification and regression trees). A total of 106 volatile organic metabolites were identified in the cerumen samples of bovines. The intoxication by S. rotundifolium influenced the cerumen volatolomic profile of the bovines throughout the intoxication protocol. In this way, it was possible to detect biomarkers for cattle intoxication. Among the biomarkers, 2-octyldecanol and 9-tetradecen-1-ol were able to discriminate all samples between intoxicated and nonintoxicated bovines. The cattle intoxication diagnosis by S. rotundifolium was accomplished by applying the cerumen analysis using HS/GC–MS, in an easy, accurate, and noninvasive way. Thus, the proposed bioanalytical chromatography protocol is a useful tool in veterinary applications to determine this kind of intoxication.     

Photoelastic stress freezing analysis of total shoulder replacement systems

Photoelastic stress freezing analyses in the orthopaedic literature have, in the past, been limited to studies where bone-on-bone, bone-on-metal or ultra-high molecular weight polyethylene (UHMWPE)-on-metal constructs are modeled. In these cases photoelastic plastics are used to simulate either bone or UHMWPE as it interacts with a metal implant. In joints such as the shoulder, a UHMWPE component is often cemented directly into the scapula's glenoid concavity using polymethylmethacrylate (PMMA). While a photoelastic material can be used to simulate bone with proper load scaling, UHMWPE and PMMA have very different mechanical properties at elevated stress freezing temperatures as compared within vivo body temperature. In this study, materials were identified such that proper scaling of elastic properties at elevated temperatures was utilized to simulate the metal-UHMWPE-PMMA-bone construct. Stresses on orthogonal planes throughout the glenoid were compared for two different UHMWPE component anchoring geometries (keeled and pegged). High stresses were found at the neck of the glenoid and also at the component-bone interface beneath simulated PMMA inclusions.     

Study of the reactione + e −→K + K − in the energy range1350 \leqq \sqrt s \leqq 2400 MeV

Thee ⁺ e ^?→K ⁺ K ^? cross section has been measured from about 750 events in the energy interval \(1350 \leqq \sqrt s \leqq 2400 MeV\) with the DM2 detector at DCI. TheK ^± form factor |F _F ^±| cannot be explained by the ρ, ω, ? and ρ′(1600). An additional resonant amplitude at 1650 MeV has to be added as suggested by a previous experiment.     

Theoretical modeling of vibroelectronic quantum states in complex molecular systems: solvated carbon monoxide, a test case

In this paper we extend the perturbed matrix method by explicitly including the nuclear degrees of freedom, in order to treat quantum vibrational states in a perturbed molecule. In a previous paper we showed how to include, in a simple way, nuclear degrees of freedom for the calculation of molecular polarizability. In the present work we extend and generalize this approach to model vibroelectronic transitions, requiring a more sophisticated treatment.     

Experimental and Computational Studies of a Multi‐Electron Donor–Acceptor Ligand Containing the Thiazolo[5,4‐d]thiazole Core and its Incorporation into a Metal–Organic Framework

A ligand containing the thiazolo[5,4‐d]thiazole (TzTz) core (acceptor) with terminal triarylamine moieties (donors), N,N′‐(thiazolo[5,4‐d]thiazole‐2,5‐diylbis(4,1‐phenylene))bis(N‐(pyridine‐4‐yl)pyridin‐4‐amine ( 1 ), was designed as a donor–acceptor system for incorporation into electronically active metal–organic frameworks (MOFs). The capacity for the ligand to undergo multiple sequential oxidation and reduction processes was examined using UV/Vis‐near‐infrared spectroelectrochemistry (UV/Vis‐NIR SEC) in combination with DFT calculations. The delocalized nature of the highest occupied molecular orbital (HOMO) was found to inhibit charge‐transfer interactions between the terminal triarylamine moieties upon oxidation, whereas radical species localized on the TzTz core were formed upon reduction. Conversion of 1 to diamagnetic 2+ and 4+ species resulted in marked changes in the emission spectra. Incorporation of this highly delocalized multi‐electron donor–acceptor ligand into a new two‐dimensional MOF, [Zn(NO₃)₂( 1 )] ( 2 ), resulted in an inhibition of the oxidation processes, but retention of the reduction capability of 1 . Changes in the electrochemistry of 1 upon integration into 2 are broadly consistent with the geometric and electronic constraints enforced by ligation.     

Radiative decay ofJ/ψ into γ π+ π−

The radiative decayJ/ψ → γ π⁺ π^? has been studied using the 8.6 millionJ/ψ produced in the DM2 experiment at the DCIe ⁺e^? storage rings at Orsay. The π⁺ π^? mass spectrum shows a cleanf ₂ (1270) signal, and the possible presence of two other states at thef ₂ (1720) andf ₄ (2030) masses. For thef ₂ (1270), the branching ratio BR(J/ψ →γf)xBR(f→π⁺ π^?) is measured to be (7.50±0.30±1.12)×10^?4, and the spin analysis prefers theJ=2 assignment, with helicity parametersx=0.83±0.06 andy=0.01±0.06. The existence of higher mass states is discussed.     

Abscheidung von Kohlendioxid: Perspektiven für neue Materialien

Der stark ansteigende Kohlendioxidgehalt in der Atmosphäre ist eines der drängendsten Umweltprobleme unserer Zeit. Eine Option zur Verringerung anthropogener CO₂‐Emissionen ist die Abscheidung und Speicherung von Kohlendioxid (Carbon Capture and Storage, CCS) an Punktquellen wie Kraftwerken. Durch diese Sequestrierung steigt allerdings der Energiebedarf der Kraftwerke um 25–40 %. Wir berichten hier über die Technologien zur Abscheidung, die zur Verringerung der CO₂‐Emissionen wahrscheinlich am besten geeignet sind. Dazu zählen Postcombustion‐Verfahren, bei denen die Abscheidung nach der Verbrennung stattfindet (vor allem die CO₂/N₂‐Separation), Precombustion‐Verfahren, bei denen CO₂/H₂‐Gemische eingesetzt werden, und die Konditionierung von Erdgas (CO₂/CH₄). Der Schlüssel zu deutlichen Fortschritten sind bessere Trennmittel zur Separation. Wir werden hier aktuelle Entwicklungen und neuartige Konzepte zur CO₂‐Abtrennung durch Lösungsmittel‐Absorption, chemische und physikalische Adsorption und Membranen schildern und besonders auf Fortschritte auf dem wachsenden Gebiet Metall‐organischer Gerüste eingehen.