Exchange, interpretation, and database-search of ion mobility spectra supported by data format JCAMP-DX

To assist peak assignment in ion mobility spectrometry it is important to have quality reference data. The reference collection should be stored in a database system which is capable of being searched using spectral or substance information. We propose to build such a database customized for ion mobility spectra. To start off with it is important to quickly reach a critical mass of data in the collection. We wish to obtain as many spectra combined with their IMS parameters as possible. Spectra suppliers will be rewarded for their participation with access to the database. To make the data exchange between users and system administration possible, it is important to define a file format specially made for the requirements of ion mobility spectra. The format should be computer readable and flexible enough for extensive comments to be included. In this document we propose a data exchange format, and we would like you to give comments on it. For the international data exchange it is important, to have a standard data exchange format. We propose to base the definition of this format on the JCAMP-DX protocol, which was developed for the exchange of infrared spectra. This standard made by the Joint Committee on Atomic and Molecular Physical Data is of a flexible design. The aim of this paper is to adopt JCAMP-DX to the special requirements of ion mobility spectra

Anisotropic susceptibilities in the honeycomb Kitaev system α−RuCl3

The magnetic insulator α−RuCl3 is a promising candidate to realize Kitaev interactions on a quasi-two-dimensional honeycomb lattice. We perform extensive susceptibility measurements on single crystals of α−RuCl3, including angle dependence of the in-plane longitudinal and transverse susceptibilities, which reveal a unidirectional anisotropy within the honeycomb plane. By comparing the experimental results to a high-temperature expansion of a Kitaev-Heisenberg-Γ spin Hamiltonian with bond anisotropy, we find excellent agreement with the observed phase shift and periodicity of the angle-resolved susceptibilities. Within this model, we show that the pronounced difference between in-plane and out-of-plane susceptibilities as well as the finite transverse susceptibility are rooted in strong symmetric off-diagonal Γ spin exchange. The Γ couplings and relationships between other terms in the model Hamiltonian are quantified by extracting relevant Curie-Weiss intercepts from the experimental data

Absorption and Metabolism of cis-9,trans-11-CLA and of Its Oxidation Product 9,11-Furan Fatty Acid by Caco-2 Cells

Furan fatty acids (furan-FA) can be formed by auto-oxidation of conjugated linoleic acids (CLA) and may therefore be ingested when CLA-containing foodstuff is consumed. Due to the presence of a furan ring structure, furan-FA may have toxic properties, however, these substances are toxicologically not well characterized so far. Here we show that 9,11-furan-FA, the oxidation product of the major CLA isomer cis-9,trans-11-CLA (c9,t11-CLA), is not toxic to human intestinal Caco-2 cells up to a level of 100 μM. Oil-Red-O staining indicated that 9,11-furan-FA as well as c9,t11-CLA and linoleic acid are taken up by the cells and stored in the form of triglycerides in lipid droplets. Chemical analysis of total cellular lipids revealed that 9,11-furan-FA is partially elongated probably by the enzymatic activity of cellular fatty acid elongases whereas c9,t11-CLA is partially converted to other isomers such as c9,c11-CLA or t9,t11-CLA. In the case of 9,11-furan-FA, there is no indication for any modification or activation of the furan ring system. From these results, we conclude that 9,11-furan-FA has no properties of toxicological relevance at least for Caco-2 cells which serve as a model for enterocytes of the human small intestine

Characterization of aluminum, aluminum oxide and titanium dioxide nanomaterials using a combination of methods for particle surface and size analysis

International audienceThe application of appropriate analytical techniques is essential for nanomaterial (NM) characterization. In this study, we compared different analytical techniques for NM analysis. Regarding possible adverse health effects, ionic and particulate NM effects have to be taken into account. As NMs behave quite differently in physiological media, special attention was paid to techniques which are able to determine the biosolubility and complexation behavior of NMs. Representative NMs of similar size were selected: aluminum (Al 0) and aluminum oxide (Al 2 O 3), to compare the behavior of metal and metal oxides. In addition, titanium dioxide (TiO 2) was investigated. Characterization techniques such as dynamic light scattering (DLS) and nanoparticle tracking analysis (NTA) were evaluated with respect to their suitability for fast characterization of nanoparticle dispersions regarding a particle's hydrodynamic diameter and size distribution. By application of inductively coupled plasma mass spectrometry in the single particle mode (SP-ICP-MS), individual nanoparticles were quantified and characterized regarding their size. SP-ICP-MS measurements were correlated with the information gained using other characterization techniques, i.e. transmission electron microscopy (TEM) and small angle X-ray scattering (SAXS). The particle surface as an important descriptor of NMs was analyzed by X-ray diffraction (XRD). NM impurities and their co-localization with biomolecules were determined by ion beam microscopy (IBM) and confocal Raman microscopy (CRM). We conclude advantages and disadvantages of the different techniques applied and suggest options for their complementation. Thus, this paper may serve as a practical guide to particle characterization techniques

Measurement of electroweak WZ boson production and search for new physics in WZ plus two jets events in pp collisions at root s=13 TeV

A measurement of WZ electroweak (EW) vector boson scattering is presented. The measurement is performed in the leptonic decay modes WZ -> l nu l'l', where l, l' = e, mu. The analysis is based on a data sample of proton-proton collisions at root s = 13 TeV at the LHC collected with the CMS detector and corresponding to an integrated luminosity of 35.9 fb(-1) . The WZ plus two jet production cross section is measured in fiducial regions with enhanced contributions from EW production and found to be consistent with standard model predictions. The EW WZ production in association with two jets is measured with an observed (expected) significance of 2.2 (2.5) standard deviations. Constraints on charged Higgs boson production and on anomalous quartic gauge couplings in terms of dimension-eight effective field theory operators are also presented. (C) 2019 The Author(s). Published by Elsevier B.V.Peer reviewe

Search for a low-mass tau(-)tau(+) resonance in association with a bottom quark in proton-proton collisions at root s=13 TeV

A general search is presented for a low-mass (-+) resonance produced in association with a bottom quark. The search is based on proton-proton collision data at a center-of-mass energy of 13 TeV collected by the CMS experiment at the LHC, corresponding to an integrated luminosity of 35.9 fb(-1). The data are consistent with the standard model expectation. Upper limits at 95% confidence level on the cross section times branching fraction are determined for two signal models: a light pseudoscalar Higgs boson decaying to a pair of leptons produced in association with bottom quarks, and a low-mass boson X decaying to a -lepton pair that is produced in the decay of a bottom-like quark B such that B bX. Masses between 25 and 70 GeV are probed for the light pseudoscalar boson with upper limits ranging from 250 to 44 pb. Upper limits from 20 to 0.3 pb are set on B masses between 170 and 450 GeV for X boson masses between 20 and 70 GeV.Peer reviewe

Search for lepton flavour violating decays of a neutral heavy Higgs boson to mu tau and e tau in proton-proton collisions at root s=13 TeV

A search for lepton flavour violating decays of a neutral non-standard-model Higgs boson in the mu tau and e tau decay modes is presented. The search is based on proton-proton collisions at a center of mass energy root s = 13 TeV collected with the CMS detector in 2016, corresponding to an integrated luminosity of 35.9 fb(-1). The tau leptons are reconstructed in the leptonic and hadronic decay modes. No signal is observed in the mass range 200-900 GeV. At 95% confidence level, the observed (expected) upper limits on the production cross section multiplied by the branching fraction vary from 51.9 (57.4) fb to 1.6 (2.1) fb for the mu tau and from 94.1 (91.6) fb to 2.3 (2.3) fb for the e tau decay modes.Peer reviewe

Search for Low-Mass Quark-Antiquark Resonances Produced in Association with a Photon at root s=13 TeV

A search for narrow low-mass resonances decaying to quark-antiquark pairs is presented. The search is based on proton-proton collision events collected at 13 TeV by the CMS detector at the CERN LHC. The data sample corresponds to an integrated luminosity of 35.9 fb(-1), recorded in 2016. The search considers the case where the resonance has high transverse momentum due to initial-state radiation of a hard photon. To study this process, the decay products of the resonance are reconstructed as a single large-radius jet with two-pronged substructure. The signal would be identified as a localized excess in the jet invariant mass spectrum. No evidence for such a resonance is observed in the mass range 10 to 125 GeV. Upper limits at the 95% confidence level are set on the coupling strength of resonances decaying to quark pairs. The results obtained with this photon trigger strategy provide the first direct constraints on quark-antiquark resonance masses below 50 GeV obtained at a hadron collider.Peer reviewe

Search for low mass vector resonances decaying into quark-antiquark pairs in proton-proton collisions at root s=13 Tev

A search for low mass narrow vector resonances decaying into quark-antiquark pairs is presented. The analysis is based on data collected in 2017 with the CMS detector at the LHC in proton-proton collisions at a center-of-mass energy of 13 TeV, corresponding to an integrated luminosity of 41.1 fb(-1). The results of this analysis are combined with those of an earlier analysis based on data collected at the same collision energy in 2016, corresponding to 35.9 fb(-1). Signal candidates will be recoiling against initial state radiation and are identified as energetic, large-radius jets with two pronged substructure. The invariant jet mass spectrum is probed for a potential narrow peaking signal over a smoothly falling background. No evidence for such resonances is observed within the mass range of 50-450 GeV. Upper limits at the 95% confidence level are set on the coupling of narrow resonances to quarks, as a function of the resonance mass. For masses between 50 and 300 GeV these are the most sensitive limits to date. This analysis extends the earlier search to a mass range of 300-450 GeV, which is probed for the first time with jet substructure techniques.Peer reviewe