Coupling electron capture dissociation and the modified Kendrick mass defect for sequencing of a poly(2-ethyl-2-oxazoline) polymer

With increasing focus on the structural elucidation of polymers, advanced tandem mass spectrometry techniques will play a crucial role in the characterization of these compounds. In this contribution, synthesis and analysis of methyl initiated and xan-thate terminated poly (2-ethyl-2-oxazoline) using Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry was achieved. Electron capture dissociation (ECD) produced full end group characterization as well as back bone fragmentation including complete sequence coverage of the polymer. A method of fragment ion characterization is also presented with the use of the high resolution modified Kendrick mass defect plots as a means of grouping fragments from the same fragmentation pathways together. This type of data processing is applicable to all tandem mass spectrometry techniques for polymer analysis but is made more effective with high mass accuracy methods. ECD FT-ICR MS demonstrates its promising role as a structural characterization technique for polyoxazoline species

Search for supersymmetry in final states with charm jets and missing transverse momentum in 13 TeV pp collisions with the ATLAS detector

A search for supersymmetric partners of top quarks decaying as t ~ 1 →cχ ~ 0 1 and supersymmetric partners of charm quarks decaying as c ~ 1 →cχ ~ 0 1, where χ ~ 0 1 is the lightest neutralino, is presented. The search uses 36.1 fb −1 pp collision data at a centre-of-mass energy of 13 TeV collected by the ATLAS experiment at the Large Hadron Collider and is performed in final states with jets identified as containing charm hadrons. Assuming a 100% branching ratio to cχ ~ 0 1, top and charm squarks with masses up to 850 GeV are excluded at 95% confidence level for a massless lightest neutralino. For m t ~ 1 ,c ~ 1 −m χ ~ 0 1 < 100 GeV, top and charm squark masses up to 500 GeV are excluded

Measurement of the Higgs boson mass in the H→ZZ ∗ →4ℓ and H→γγ channels with √s =13 TeV pp collisions using the ATLAS detector

The mass of the Higgs boson is measured in the H→ZZ ∗ →4ℓ and in the H→γγ decay channels with 36.1 fb −1 of proton-proton collision data from the Large Hadron Collider at a centre-of-mass energy of 13 TeV recorded by the ATLAS detector in 2015 and 2016. The measured value in the H→ZZ ∗ →4ℓ channel is m ZZ ∗ H =124.79±0.37 GeV, while the measured value in the H→γγ channel is m γγ H =124.93±0.40 GeV. Combining these results with the ATLAS measurement based on 7 TeV and 8 TeV proton-proton collision data yields a Higgs boson mass of m H =124.97±0.24 GeV

Search for photonic signatures of gauge-mediated supersymmetry in 13 TeV pp collisions with the ATLAS detector

A search is presented for photonic signatures, motivated by generalized models of gauge-mediated supersymmetry breaking. This search makes use of proton-proton collision data at √s = 13 TeV corresponding to an integrated luminosity of 36.1 fb −1 recorded by the ATLAS detector at the LHC, and it explores models dominated by both strong and electroweak production of supersymmetric partner states. Experimental signatures incorporating an isolated photon and significant missing transverse momentum are explored. These signatures include events with an additional photon or additional jet activity not associated with any specific underlying quark flavor. No significant excess of events is observed above the Standard Model prediction, and 95% confidence-level upper limits of between 0.083 fb and 0.32 fb are set on the visible cross section of contributions from physics beyond the Standard Model. These results are interpreted in terms of lower limits on the masses of gluinos, squarks, and gauginos in the context of generalized models of gauge-mediated supersymmetry, which reach as high as 2.3 TeV for strongly produced and 1.3 TeV for weakly produced supersymmetric partner pairs

Search for heavy resonances decaying to a photon and a hadronically decaying Z/W/H boson in pp collisions at √s =13 TeV with the ATLAS detector

Many extensions of the Standard Model predict new resonances decaying to a Z, W, or Higgs boson and a photon. This paper presents a search for such resonances produced in pp collisions at √s =13  TeV using a data set with an integrated luminosity of 36.1  fb−1 collected by the ATLAS detector at the LHC. The Z/W/H bosons are identified through their decays to hadrons. The data are found to be consistent with the Standard Model expectation in the entire investigated mass range. Upper limits are set on the production cross section times branching fraction for resonance decays to Z/W+γ in the mass range from 1.0 to 6.8 TeV and for the first time into H+γ in the mass range from 1.0 to 3.0 TeV

Search for high-mass resonances decaying to τν in pp collisions at √s = 13 TeV with the ATLAS detector

A search for high-mass resonances decaying to τ ν using proton-proton collisions at √ s = 13     TeV produced by the Large Hadron Collider is presented. Only τ -lepton decays with hadrons in the final state are considered. The data were recorded with the ATLAS detector and correspond to an integrated luminosity of 36.1     fb − 1 . No statistically significant excess above the standard model expectation is observed; model-independent upper limits are set on the visible τ ν production cross section. Heavy W ′ bosons with masses less than 3.7 TeV in the sequential standard model and masses less than 2.2–3.8 TeV depending on the coupling in the nonuniversal G ( 221 ) model are excluded at the 95% credibility level

Search for High-Mass Resonances Decaying to τν in pp Collisions at √s=13 TeV with the ATLAS Detector

A search for high-mass resonances decaying to τν using proton-proton collisions at √s=13 TeV produced by the Large Hadron Collider is presented. Only τ-lepton decays with hadrons in the final state are considered. The data were recorded with the ATLAS detector and correspond to an integrated luminosity of 36.1 fb−1. No statistically significant excess above the standard model expectation is observed; model-independent upper limits are set on the visible τν production cross section. Heavy W′ bosons with masses less than 3.7 TeV in the sequential standard model and masses less than 2.2–3.8 TeV depending on the coupling in the nonuniversal G(221) model are excluded at the 95% credibility level

Advances in structure elucidation of small molecules using mass spectrometry

The structural elucidation of small molecules using mass spectrometry plays an important role in modern life sciences and bioanalytical approaches. This review covers different soft and hard ionization techniques and figures of merit for modern mass spectrometers, such as mass resolving power, mass accuracy, isotopic abundance accuracy, accurate mass multiple-stage MS(n) capability, as well as hybrid mass spectrometric and orthogonal chromatographic approaches. The latter part discusses mass spectral data handling strategies, which includes background and noise subtraction, adduct formation and detection, charge state determination, accurate mass measurements, elemental composition determinations, and complex data-dependent setups with ion maps and ion trees. The importance of mass spectral library search algorithms for tandem mass spectra and multiple-stage MS(n) mass spectra as well as mass spectral tree libraries that combine multiple-stage mass spectra are outlined. The successive chapter discusses mass spectral fragmentation pathways, biotransformation reactions and drug metabolism studies, the mass spectral simulation and generation of in silico mass spectra, expert systems for mass spectral interpretation, and the use of computational chemistry to explain gas-phase phenomena. A single chapter discusses data handling for hyphenated approaches including mass spectral deconvolution for clean mass spectra, cheminformatics approaches and structure retention relationships, and retention index predictions for gas and liquid chromatography. The last section reviews the current state of electronic data sharing of mass spectra and discusses the importance of software development for the advancement of structure elucidation of small molecules

Determination of jet calibration and energy resolution in proton–proton collisions at s = 8 TeV using the ATLAS detector

Abstract: The jet energy scale, jet energy resolution, and their systematic uncertainties are measured for jets reconstructed with the ATLAS detector in 2012 using proton–proton data produced at a centre-of-mass energy of 8 TeV with an integrated luminosity of 20fb-1. Jets are reconstructed from clusters of energy depositions in the ATLAS calorimeters using the anti-kt algorithm. A jet calibration scheme is applied in multiple steps, each addressing specific effects including mitigation of contributions from additional proton–proton collisions, loss of energy in dead material, calorimeter non-compensation, angular biases and other global jet effects. The final calibration step uses several in situ techniques and corrects for residual effects not captured by the initial calibration. These analyses measure both the jet energy scale and resolution by exploiting the transverse momentum balance in γ + jet, Z + jet, dijet, and multijet events. A statistical combination of these measurements is performed. In the central detector region, the derived calibration has a precision better than 1% for jets with transverse momentum 150GeV<pT< 1500 GeV, and the relative energy resolution is (8.4±0.6)% for pT=100GeV and (23±2)% for pT=20GeV. The calibration scheme for jets with radius parameter R=1.0, for which jets receive a dedicated calibration of the jet mass, is also discussed

Search for pair production of Higgs bosons in the bb¯bb¯ final state using proton-proton collisions at s√=13 TeV with the ATLAS detector

A search for Higgs boson pair production in the bb¯¯bb¯¯ final state is carried out with up to 36.1 fb−1 of LHC proton-proton collision data collected at s√=13 TeV with the ATLAS detector in 2015 and 2016. Three benchmark signals are studied: a spin-2 graviton decaying into a Higgs boson pair, a scalar resonance decaying into a Higgs boson pair, and Standard Model non-resonant Higgs boson pair production. Two analyses are carried out, each implementing a particular technique for the event reconstruction that targets Higgs bosons reconstructed as pairs of jets or single boosted jets. The resonance mass range covered is 260–3000 GeV. The analyses are statistically combined and upper limits on the production cross section of Higgs boson pairs times branching ratio to bb¯¯bb¯¯ are set in each model. No significant excess is observed; the largest deviation of data over prediction is found at a mass of 280 GeV, corresponding to 2.3 standard deviations globally. The observed 95% confidence level upper limit on the non-resonant production is 13 times the Standard Model prediction