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5-HT1A targeting PARCEST agent DO3AM-MPP with potential for receptor imaging : Synthesis, physico-chemical and MR studies
- 2021
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Ingår i: Bioorganic chemistry. - : Elsevier. - 0045-2068. ; 106
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Tidskriftsartikel (refereegranskat)abstract
- Contrast enhancement in MRI using magnetization or saturation transfer techniques promises better sensitivity, and faster acquisition compared to T-1 or T-2 contrast. This work reports the synthesis and evaluation of 5-HT1A targeted PARACEST MRI contrast agent using 1,4,7,10-tetraazacycloDOdecane-4,7,10-triacetAMide (DO3AM) as the bifunctional chelator, and 5-HT1A-antagonist methoxyphenyl piperazine (MPP) as a targeting unit. The multistep synthesis led to the MPP conjugated DO3AM with 60% yield. CEST-related physicochemical parameters were evaluated after loading DO3AM-MPP with paramagnetic MRI active lanthanides: Gadolinium (Gd-DO3AM-MPP) and Europium (Eu-DO3AM-MPP). Luminescence lifetime measurements with Eu-DO3AM-MPP and computational DFT studies using Gd-DO3AM-MPP revealed the coordination of one water molecule (q = 1.43) with metal-water distance (r(M)-H2O) of 2.7 angstrom and water residence time (tau(m)) of 0.23 ms. The dissociation constant of K-d 62 +/- 0.02 pM as evaluated from fluorescence quenching of 5-HT1A (protein) and docking score of -4.81 in theoretical evaluation reflect the binding potential of the complex Gd-DO3AM-MPP with the receptor 5-HT1A. Insights of the docked pose reflect the importance of NH2 (amide) and aromatic ring in Gd-DO3AM-MPP while interacting with Ser 374 and Phe 370 in the antagonist binding pocket of 5-HT1A. Gd-DO3AM-MPP shows longitudinal relaxivity 5.85 mM(-1)s(-1) with a water residence lifetime of 0.93 ms in hippocampal homogenate containing 5-HT1A. The potentiometric titration of DO3AM-MPP showed strong selectivity for Gd3+ over physiological metal ions such as Zn2+ and Cu2+. The in vitro and in vivo studies confirmed the minimal cytotoxicity and presential binding of Gd-DO3AM-MPP with 5-HT1A receptor in the hippocampus region of the mice. Summarizing, the complex Gd-DO3AM-MPP can have a potential for CEST imaging of 5-HT1A receptors.
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| 3. |
- Aad, G, et al.
(författare)
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Differential cross-section measurements for the electroweak production of dijets in association with a Z boson in proton–proton collisions at ATLAS
- 2021
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Ingår i: European Physical Journal C. - : Springer Science and Business Media LLC. - 1434-6044 .- 1434-6052. ; 81:2
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Tidskriftsartikel (refereegranskat)abstract
- Differential cross-section measurements are presented for the electroweak production of two jets in association with a Z boson. These measurements are sensitive to the vector-boson fusion production mechanism and provide a fundamental test of the gauge structure of the Standard Model. The analysis is performed using proton–proton collision data collected by ATLAS at s=13TeV and with an integrated luminosity of 139fb-1. The differential cross-sections are measured in the Z→ ℓ+ℓ- decay channel (ℓ= e, μ) as a function of four observables: the dijet invariant mass, the rapidity interval spanned by the two jets, the signed azimuthal angle between the two jets, and the transverse momentum of the dilepton pair. The data are corrected for the effects of detector inefficiency and resolution and are sufficiently precise to distinguish between different state-of-the-art theoretical predictions calculated using Powheg+Pythia8, Herwig7+Vbfnlo and Sherpa 2.2. The differential cross-sections are used to search for anomalous weak-boson self-interactions using a dimension-six effective field theory. The measurement of the signed azimuthal angle between the two jets is found to be particularly sensitive to the interference between the Standard Model and dimension-six scattering amplitudes and provides a direct test of charge-conjugation and parity invariance in the weak-boson self-interactions. © 2020, The Author(s).
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| 4. |
- Aad, G, et al.
(författare)
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Exclusive dimuon production in ultraperipheral Pb + Pb collisions at √sNN= 5.02 TeV with ATLAS
- 2021
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Ingår i: Physical Review C. - : American Physical Society. - 2469-9985 .- 2469-9993. ; 104:2
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Tidskriftsartikel (refereegranskat)abstract
- Exclusive dimuon production in ultraperipheral collisions (UPC), resulting from photon-photon interactions in the strong electromagnetic fields of colliding high-energy lead nuclei, PbPb(γγ) → μ+μ-(Pb(∗)Pb(∗)), is studied using Lint = 0.48 nb-1 of √sNN = 5.02 TeV lead-lead collision data at the LHC with the ATLAS detector. Dimuon pairs are measured in the fiducial region pT,μ > 4 GeV, |ημ| <2.4, invariant mass mμμ > 10 GeV, and pT,μμ <2 GeV. The primary background from single-dissociative processes is extracted from the data using a template fitting technique. Differential cross sections are presented as a function of mμμ, absolute pair rapidity (|yμμ|), scattering angle in the dimuon rest frame (|cos $μμ∗|), and the colliding photon energies. The total cross section of the UPC γγ → μ+μ- process in the fiducial volume is measured to be σfidμμ = 34.1±0.3(stat.)±0.7(syst.) μb. Generally good agreement is found with calculations from STARlight, which incorporate the leading-order Breit-Wheeler process with no final-state effects, albeit differences between the measurements and theoretical expectations are observed. In particular, the measured cross sections at larger |yμμ| are found to be about 10-20% larger in data than in the calculations, suggesting the presence of larger fluxes of photons in the initial state. Modification of the dimuon cross sections in the presence of forward and/or backward neutron production is also studied and is found to be associated with a harder incoming photon spectrum, consistent with expectations. © 2021 CERN.
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| 5. |
- Aad, G, et al.
(författare)
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Jet energy scale and resolution measured in proton–proton collisions at √s=13 TeV with the ATLAS detector
- 2021
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Ingår i: European Physical Journal C. - : Springer Science and Business Media LLC. - 1434-6044 .- 1434-6052. ; 81:8
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Tidskriftsartikel (refereegranskat)abstract
- Jet energy scale and resolution measurements with their associated uncertainties are reported for jets using 36–81 fb−1 of proton–proton collision data with a centre-of-mass energy of s√=13 TeV collected by the ATLAS detector at the LHC. Jets are reconstructed using two different input types: topo-clusters formed from energy deposits in calorimeter cells, as well as an algorithmic combination of charged-particle tracks with those topo-clusters, referred to as the ATLAS particle-flow reconstruction method. The anti-kt jet algorithm with radius parameter R=0.4 is the primary jet definition used for both jet types. This result presents new jet energy scale and resolution measurements in the high pile-up conditions of late LHC Run 2 as well as a full calibration of particle-flow jets in ATLAS. Jets are initially calibrated using a sequence of simulation-based corrections. Next, several in situ techniques are employed to correct for differences between data and simulation and to measure the resolution of jets. The systematic uncertainties in the jet energy scale for central jets (|η|<1.2) vary from 1% for a wide range of high-pT jets (2502.5 TeV). The relative jet energy resolution is measured and ranges from (24±1.5)% at 20 GeV to (6±0.5)% at 300 GeV.
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| 6. |
- Aad, G., et al.
(författare)
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Longitudinal Flow Decorrelations in Xe plus Xe Collisions at √sNN=5.44 TeV with the ATLAS Detector
- 2021
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Ingår i: Physical Review Letters. - : American Physical Society. - 0031-9007 .- 1079-7114. ; 126:12
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Tidskriftsartikel (refereegranskat)abstract
- The first measurement of longitudinal decorrelations of harmonic flow amplitudes v(n) for n = 2-4 in Xe + Xe collisions at root s(NN) = 5.44 TeV is obtained using 3 mu b(-1) of data with the ATLAS detector at the LHC. The decorrelation signal for v(3) and v(4) is found to be nearly independent of collision centrality and transverse momentum (p(T)) requirements on fmal-state particles, but for v(2) a strong centrality and p(T) dependence is seen. When compared with the results from Pb + Pb collisions at. root s(NN) = 5.02 TcV, the longitudinal decorrelation signal in midcentral Xe + Xe collisions is found to be larger for v(2), but smaller for v(3). Current hydrodynamic models reproduce the ratios of the v(n) measured in Xe + Xe collisions to those in Pb + Pb collisions but fail to describe the magnitudes and trends of the ratios of longitudinal flow decorrelations between Xe + Xe and Pb + Pb. The results on the system-size dependence provide new insights and an important lever arm to separate effects of the longitudinal structure of the initial state from other early and late time effects in heavy-ion collisions.
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| 7. |
- Aad, G, et al.
(författare)
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Measurement of b-quark fragmentation properties in jets using the decay B± → J/ψK± in pp collisions at s√ = 13 TeV with the ATLAS detector
- 2021
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Ingår i: Journal of High Energy Physics. - : Springer. - 1029-8479 .- 1126-6708. ; 2021:12
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Tidskriftsartikel (refereegranskat)abstract
- The fragmentation properties of jets containing b-hadrons are studied using charged B mesons in 139 fb−1 of pp collisions at s√ = 13 TeV, recorded with the ATLAS detector at the LHC during the period from 2015 to 2018. The B mesons are reconstructed using the decay of B± into J/ψK±, with the J/ψ decaying into a pair of muons. Jets are reconstructed using the anti-kt algorithm with radius parameter R = 0.4. The measurement determines the longitudinal and transverse momentum profiles of the reconstructed B hadrons with respect to the axes of the jets to which they are geometrically associated. These distributions are measured in intervals of the jet transverse momentum, ranging from 50 GeV to above 100 GeV. The results are corrected for detector effects and compared with several Monte Carlo predictions using different parton shower and hadronisation models. The results for the longitudinal and transverse profiles provide useful inputs to improve the description of heavy-flavour fragmentation in jets.
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| 8. |
- Aad, G, et al.
(författare)
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Measurement of hadronic event shapes in high-p T multijet final states at √s = 13 TeV with the ATLAS detector
- 2021
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Ingår i: Journal of High Energy Physics. - : Springer Nature. - 1029-8479 .- 1126-6708. ; 2021:1
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Tidskriftsartikel (refereegranskat)abstract
- A measurement of event-shape variables in proton-proton collisions at large momentum transfer is presented using data collected at s = 13 TeV with the ATLAS detector at the Large Hadron Collider. Six event-shape variables calculated using hadronic jets are studied in inclusive multijet events using data corresponding to an integrated luminosity of 139 fb−1. Measurements are performed in bins of jet multiplicity and in different ranges of the scalar sum of the transverse momenta of the two leading jets, reaching scales beyond 2 TeV. These measurements are compared with predictions from Monte Carlo event generators containing leading-order or next-to-leading order matrix elements matched to parton showers simulated to leading-logarithm accuracy. At low jet multiplicities, shape discrepancies between the measurements and the Monte Carlo predictions are observed. At high jet multiplicities, the shapes are better described but discrepancies in the normalisation are observed. [Figure not available: see fulltext.] © 2021, The Author(s).
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| 9. |
- Aad, G, et al.
(författare)
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Measurement of light-by-light scattering and search for axion-like particles with 2.2 nb−1 of Pb+Pb data with the ATLAS detector
- 2021
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Ingår i: Journal of High Energy Physics. - : SPRINGER. - 1029-8479 .- 1126-6708. ; 2021:3
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Tidskriftsartikel (refereegranskat)abstract
- This paper describes a measurement of light-by-light scattering based on Pb+Pb collision data recorded by the ATLAS experiment during Run 2 of the LHC. The study uses 2.2 nb−1 of integrated luminosity collected in 2015 and 2018 at sNN = 5.02 TeV. Light-by-light scattering candidates are selected in events with two photons produced exclusively, each with transverse energy ETγ> 2.5 GeV, pseudorapidity |ηγ| < 2.37, diphoton invariant mass mγγ> 5 GeV, and with small diphoton transverse momentum and diphoton acoplanarity. The integrated and differential fiducial cross sections are measured and compared with theoretical predictions. The diphoton invariant mass distribution is used to set limits on the production of axion-like particles. This result provides the most stringent limits to date on axion-like particle production for masses in the range 6–100 GeV. Cross sections above 2 to 70 nb are excluded at the 95% CL in that mass interval. [Figure not available: see fulltext.] © 2021, The Author(s).
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| 10. |
- Aad, G, et al.
(författare)
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Measurement of single top-quark production in association with a W boson in the single-lepton channel at √s=8TeV with the ATLAS detector
- 2021
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Ingår i: European Physical Journal C. - : Springer Science and Business Media LLC. - 1434-6044 .- 1434-6052. ; 81:8
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Tidskriftsartikel (refereegranskat)abstract
- The production cross-section of a top quark in association with a W boson is measured using proton–proton collisions at s√=8TeV. The dataset corresponds to an integrated luminosity of 20.2fb−1, and was collected in 2012 by the ATLAS detector at the Large Hadron Collider at CERN. The analysis is performed in the single-lepton channel. Events are selected by requiring one isolated lepton (electron or muon) and at least three jets. A neural network is trained to separate the tW signal from the dominant tt¯ background. The cross-section is extracted from a binned profile maximum-likelihood fit to a two-dimensional discriminant built from the neural-network output and the invariant mass of the hadronically decaying W boson. The measured cross-section is σtW=26±7pb, in good agreement with the Standard Model expectation.
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