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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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| 2. |
- A. Bateki, Christian, et al.
(författare)
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Of milk and mobiles: Assessing the potential of cellphone applications to reduce cattle milk yield gaps in Africa using a case study
- 2021
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Ingår i: Computers and Electronics in Agriculture. - : Elsevier BV. - 0168-1699. ; 191
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Tidskriftsartikel (refereegranskat)abstract
- There are growing expectations that Information and Communication Technology (ICT) applications could help improve on-farm yields amongst smallholder farmers in developing countries, and consequently, food and nutrition security. However, few studies have quantified the actual contribution of ICT applications on farmers’ yields, and these studies predominantly focused on crop production. We assessed the potential of ICT applications to close milk yield gaps among small- and medium scale dairy cattle farmers in Africa. First, we developed a theoretical framework summarizing biophysical and socio-economic constraints that foster milk yield gaps and discussed which constraints can be addressed using ICT applications. Second, using a case study of a feeding advice application for dairy cattle pre-tested with farmers in rural Kenya, we analyzed how much stand-alone the application could contribute to close dairy cattle milk yield gaps. Our findings suggest that ICT applications could help address some existing biophysical and socio-economic constraints fostering milk yield gaps, including data collection for breeding programs, feeding management advice, and facilitating access to markets and capital. Our stand-alone ICT application closed yield gaps by 2 % to 6 % on representative farms. Several factors may explain the limited actual contribution of selected ICT applications to reduce existing milk yield gaps, including the quality of the input data and models used in ICT applications, and more structural constraints that cannot be addressed by digital tools. Therefore, although ICT applications could help address constraints to achieving higher milk yields on dairy farms, a significant contribution to improve yields may only be achieved when conditions surrounding their use are adequate.
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| 3. |
- A, Dell'Isola, et al.
(författare)
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The role of pain and walking difficulties in shaping willingness to undergo joint surgery for osteoarthritis: Data from the Swedish BOA register
- 2021
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Ingår i: Osteoarthritis and Cartilage Open. - : Elsevier BV. - 2665-9131. ; 3:2
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Tidskriftsartikel (refereegranskat)abstract
- Objectives: To investigate whether the association between pain intensity and willingness to undergo surgery is explained by walking difficulties, in patients with knee or hip osteoarthritis (OA). Methods: This is an observational study using data from the Better management of patients with Osteoarthritis (BOA) register, which collects data from a publicly financed self-management programme for people with OA in Sweden. We included all patients with knee or hip OA who attended the baseline visit between 2008 and 2016. We conducted separate mediation analyses within a counterfactual framework to estimate the mediation effect of walking difficulties (yes/no) on willingness to undergo surgery (yes/no) for each one-point increase in pain (0–10 on a numeric rating scale), adjusted for relevant confounders. Results: We included 72,131 patients (69% women, mean age 66, mean pain 5.4, 81% had walking difficulties, 27% was willing to undergo surgery). A one-point increase in pain intensity was associated with 1.53 (95% CI: 1.51; 1.55) higher odds of being willing to undergo surgery. Walking difficulties mediated 10%–25% of the effect of one-point increase in pain when pain was <8/10, while at pain ≥8/10 this percentage decreased to 3%. Conclusions: More than 80% of the BOA patients have mild to moderate pain (<8/10) and walking difficulties can mediate up to a quarter of the total effect of pain on the willingness to undergo surgery in these patients. Trials to evaluate the potential to lower surgery demand by reducing walking difficulties in people with these characteristics are needed.
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| 4. |
- Aaberg, Oddveig Reiersdal, et al.
(författare)
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A human factors intervention in a hospital-evaluating the outcome of a TeamSTEPPS program in a surgical ward
- 2021
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Ingår i: BMC Health Services Research. - : BioMed Central. - 1472-6963. ; 21:1
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Tidskriftsartikel (refereegranskat)abstract
- Background: Patient safety in hospitals is being jeopardized, since too many patients experience adverse events. Most of these adverse events arise from human factors, such as inefficient teamwork and communication failures, and the incidence of adverse events is greatest in the surgical area. Previous research has shown the effect of team training on patient safety culture and on different areas of teamwork. Limited research has investigated teamwork in surgical wards. The aim of this study was to evaluate the professional and organizational outcomes of a team training intervention among healthcare professionals in a surgical ward after 6 and 12 months. Systems Engineering Initiative for Patient Safety 2.0 was used as a conceptual framework for the study. Methods: This study had a pre-post design with measurements at baseline and after 6 and 12 months of intervention. The intervention was conducted in a urology and gastrointestinal surgery ward in Norway, and the study site was selected based on convenience and the leaders' willingness to participate in the project. Survey data from healthcare professionals were used to evaluate the intervention. The organizational outcomes were measured by the unit-based sections of the Hospital Survey of Patient Safety Culture Questionnaire, and professional outcomes were measured by the TeamSTEPPS Teamwork Perceptions Questionnaire and the Collaboration and Satisfaction about Care Decisions in Teams Questionnaire. A paired t-test, a Wilcoxon signed-rank test, a generalized linear mixed model and linear regression analysis were used to analyze the data. Results: After 6 months, improvements were found in organizational outcomes in two patient safety dimensions. After 12 months, improvements were found in both organizational and professional outcomes, and these improvements occurred in three patient safety culture dimensions and in three teamwork dimensions. Furthermore, the results showed that one of the significant improved teamwork dimensions "Mutual Support" was associated with the Patient Safety Grade, after 12 months of intervention. Conclusion: These results demonstrate that the team training program had effect after 12 months of intervention. Future studies with larger sample sizes and stronger study designs are necessary to examine the causal effect of a team training intervention in this context.
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| 5. |
- Aaboud, M., et al.
(författare)
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Measurement of the relative Bc± /B± production cross section with the ATLAS detector at s =8 TeV MEASUREMENT of the RELATIVE Bc± /B± ... AABOUD M. et al.
- 2021
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Ingår i: Physical Review D. - 2470-0010. ; 104:1
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Tidskriftsartikel (refereegranskat)abstract
- The total cross section and differential cross sections for the production of Bc± mesons, times their branching fraction to J/ψπ±, are measured relative to those for the production of B± mesons, times their branching fraction to J/ψK±. The data used for this study correspond to an integrated luminosity of 20.3 fb-1 of pp collisions recorded by the ATLAS detector at the Large Hadron Collider in 2012 at a center-of-mass energy of s=8 TeV. The measurement is performed differentially in bins of transverse momentum pT for 13 GeV22 GeV and in bins of rapidity y for |y|13 GeV and |y|
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| 6. |
- 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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| 7. |
- 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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| 9. |
- 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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| 10. |
- 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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