Orbital-optimized Density Functional Calculations of Molecular Rydberg Excited States with Real Space Grid Representation and Self-Interaction Correction

Density functional calculations of Rydberg excited states up to high energy are carried out for several molecules using an approach where the orbitals are variationally optimized by converging on saddle points on the electronic energy surface within a real space grid representation. Remarkably good agreement with experimental estimates of the excitation energy is obtained using the generalized gradient approximation (GGA) functional of Perdew, Burke and Ernzerhof (PBE) when Perdew-Zunger self-interaction correction is applied in combination with complex-valued orbitals. Even without the correction, the PBE functional gives quite good results despite the fact that corresponding Rydberg virtual orbitals have positive energy in the ground state calculation. Results obtained using the TPSS and r2SCAN meta-GGA functionals are also presented, but they do not provide a systematic improvement over the results from the uncorrected PBE functional. The grid representation combined with the projector augmented-wave approach gives a simpler and better representation of the diffuse Rydberg orbitals than a linear combination of atomic orbitals with commonly used basis sets, the latter leading to an overestimation of the excitation energy due to confinement of the excited states.Comment: 34 pages, 8 figure

Evaluation of a geometry-based knee joint compared to a planar knee joint

peer reviewedToday neuromuscular simulations are used in sev- eral fields, such as diagnostics and planing of surgery, to get a deeper understanding of the musculoskeletal system. Dur- ing the last year, new models and datasets have been pre- sented which can provide us with more in-depth simulations and results. The same kind of development has occurred in the field of studying the human knee joint using complex three dimensional finite element models and simulations. In the field ofmusculoskeletal simulations, no such knee joints can be used. Instead themost common knee joint description is an idealized knee joint with limited accuracy or a planar knee joint which only describes the knee motion in a plane. In this paper, a new knee joint based on both equations and geometry is introduced and compared to a common clinical planar knee joint. The two kinematical models are analyzed using a gait motion, and are evaluated using the muscle ac- tivation and joint reaction forces which are compared to in- vivo measured forces. We show that we are able to predict the lateral, anterior and longitudinal moments, and that we are able to predict better knee and hip joint reaction forces

Miljøgifter i kystområdene 2012

En Corrigendum ble tilføyd til rapporten den 24.09.2014. Den er også lagt inn som vedlegg i selve rapportsfil.A Corrigendum was added to the report on 09/24/2014. It is also added as an attachment in the report's file.This programme examines long term changes for legacy and some emerging contaminants in biota along the coast of Norway from the Oslofjord and Hvaler region in the southeast to the Varangerfjord in the northeast, in both polluted areas and areas remote from point sources. The 2012-investigation included the monitoring of blue mussel (23 stations), dog whelk (8 stations), common periwinkle (1 station) cod (14 stations) and seawater (passive samplers, 3 stations). Thirty contaminants were chosen for this report as reasonable representation of the chemicals investigated. This selection has 272 time series of which there were statistically significant trends in 50 cases: 34 (12.5 %) were downwards and 16 (5.9 %) upwards. The dominance of downward trends indicates that contamination is decreasing. Of the 272 cases, 156 could be classified by the environmental classification system used by the Norwegian Environment Agency, 81.4 % were classified as insignificantly polluted, 13.5 % as moderately polluted, 4.5 % as markedly polluted, 0 % as severely polluted and 0.6 % as extremely polluted. Analyses of HBCD, SCCP, MCCP, PFRs, BPA, and TBBPA and the use of passive samplers were included in this programme for the first time. Some cases warrant special concern. These were for example upward trend for mercury in cod fillet from the inner Oslofjord, high concentrations of hexabromocyclododecane (a-HBCD) in cod liver from the same area, and high concentrations of medium chain chlorinated paraffins (MCCP) in cod liver from SørfjordMiljødirektorate

Overvåking av sjøresipienten for avløp fra Åremma avfallsdeponi ved Rynes i Vefsnfjorden

Søndre Helgeland Miljøverk (SHMIL) har et avfallsdeponi i Åremma med utleding av sigevann til Vefsnfjorden ved Rynes. Her er det gjennomført undersøkelser av miljøgifter i sedimentet i 2003 og 2006 samt undersøkelser av miljøgifter i vannmasser og sedimenter, alger og dyr i fjæra og sammen­setningen av dyrelivet på bløtbunn i 2009/2010. Miljøforholdene ved Rynes er stort sett gode. Vannmassene og sedimentene er noe påvirket av tidligere høye utslipp av PAH til fjorden. Strandsonen er preget av få arter på grunn av den naturlige ferskvannstilførslen til Vefsnfjorden. Det kan ikke påvises noen endring i miljøgiftinnholdet i sedimentene fra 2003 til 2009.Søndre Helgeland Miljøverk IKS (SHMIL

First results from NA60 on low mass muon pair production in In-In collisions at 158 GeV/nucleon

The NA60 experiment at the CERN SPS studies dimuon production in proton-nucleus and nucleus-nucleus collisions. The combined information from a novel vertex telescope made of radiation-tolerant silicon pixel detectors and from the muon spectrometer previously used in NA50 allows for a precise measurement of the muon vertex and a much improved dimuon mass resolution. We report on first results from the data taken for Indium-Indium collisions at 158 AGeV/nucleon in 2003, concentrating on a subsample of about 370 000 muon pairs in the mass range $<1.2$ GeV/$c^{2}$. The light vector mesons $\omega$ and $\phi$ are completely resolved, with a mass resolution of about 23 MeV/$c^{2}$ at the $\phi$. The transverse momentum spectra of the $\phi$ are measured over the continuous range $0<p_{\rm T}<2.5$ GeV/c; the inverse slope parameter of the spectra is found to increase with centrality, with an average value of $T=252\pm3$ MeV.Comment: 9 pages, 6 figures. Plenary talk, SQM2004 conference, Cape Town, South Africa 15-20 September, 2004. To be published in Journal of Physics G: Nuclear and Particle Physic

Safety and efficacy of tenecteplase in patients with wake-up stroke assessed by non-contrast CT (TWIST): a multicentre, open-label, randomised controlled trial

Background: Current evidence supports the use of intravenous thrombolysis with alteplase in patients with wake-up stroke selected with MRI or perfusion imaging and is recommended in clinical guidelines. However, access to advanced imaging techniques is often scarce. We aimed to determine whether thrombolytic treatment with intravenous tenecteplase given within 4·5 h of awakening improves functional outcome in patients with ischaemic wake-up stroke selected using non-contrast CT. Methods: TWIST was an investigator-initiated, multicentre, open-label, randomised controlled trial with blinded endpoint assessment, conducted at 77 hospitals in ten countries. We included patients aged 18 years or older with acute ischaemic stroke symptoms upon awakening, limb weakness, a National Institutes of Health Stroke Scale (NIHSS) score of 3 or higher or aphasia, a non-contrast CT examination of the head, and the ability to receive tenecteplase within 4·5 h of awakening. Patients were randomly assigned (1:1) to either a single intravenous bolus of tenecteplase 0·25 mg per kg of bodyweight (maximum 25 mg) or control (no thrombolysis) using a central, web-based, computer-generated randomisation schedule. Trained research personnel, who conducted telephone interviews at 90 days (follow-up), were masked to treatment allocation. Clinical assessments were performed on day 1 (at baseline) and day 7 of hospital admission (or at discharge, whichever occurred first). The primary outcome was functional outcome assessed by the modified Rankin Scale (mRS) at 90 days and analysed using ordinal logistic regression in the intention-to-treat population. This trial is registered with EudraCT (2014–000096–80), ClinicalTrials.gov (NCT03181360), and ISRCTN (10601890). Findings: From June 12, 2017, to Sept 30, 2021, 578 of the required 600 patients were enrolled (288 randomly assigned to the tenecteplase group and 290 to the control group [intention-to-treat population]). The median age of participants was 73·7 years (IQR 65·9–81·1). 332 (57%) of 578 participants were male and 246 (43%) were female. Treatment with tenecteplase was not associated with better functional outcome, according to mRS score at 90 days (adjusted OR 1·18, 95% CI 0·88–1·58; p=0·27). Mortality at 90 days did not significantly differ between treatment groups (28 [10%] patients in the tenecteplase group and 23 [8%] in the control group; adjusted HR 1·29, 95% CI 0·74–2·26; p=0·37). Symptomatic intracranial haemorrhage occurred in six (2%) patients in the tenecteplase group versus three (1%) in the control group (adjusted OR 2·17, 95% CI 0·53–8·87; p=0·28), whereas any intracranial haemorrhage occurred in 33 (11%) versus 30 (10%) patients (adjusted OR 1·14, 0·67–1·94; p=0·64). Interpretation: In patients with wake-up stroke selected with non-contrast CT, treatment with tenecteplase was not associated with better functional outcome at 90 days. The number of symptomatic haemorrhages and any intracranial haemorrhages in both treatment groups was similar to findings from previous trials of wake-up stroke patients selected using advanced imaging. Current evidence does not support treatment with tenecteplase in patients selected with non-contrast CT. Funding: Norwegian Clinical Research Therapy in the Specialist Health Services Programme, the Swiss Heart Foundation, the British Heart Foundation, and the Norwegian National Association for Public Health

Overvåking av sjøresipienten for avløp fra Åremma avfallsdeponi ved Rynes i Vefsnfjorden

Søndre Helgeland Miljøverk (SHMIL) har et avfallsdeponi i Åremma med utleding av sigevann til Vefsnfjorden ved Rynes. Her er det gjennomført undersøkelser av miljøgifter i sedimentet i 2003 og 2006 samt undersøkelser av miljøgifter i vannmasser og sedimenter, alger og dyr i fjæra og sammen­setningen av dyrelivet på bløtbunn i 2009/2010. Miljøforholdene ved Rynes er stort sett gode. Vannmassene og sedimentene er noe påvirket av tidligere høye utslipp av PAH til fjorden. Strandsonen er preget av få arter på grunn av den naturlige ferskvannstilførslen til Vefsnfjorden. Det kan ikke påvises noen endring i miljøgiftinnholdet i sedimentene fra 2003 til 2009