| 1. |
- Aidas, Kestutis, et al.
(författare)
-
The Dalton quantum chemistry program system
- 2014
-
Ingår i: WIREs Computational Molecular Science. - : Wiley. - 1759-0876 .- 1759-0884. ; 4:3, s. 269-284
-
Tidskriftsartikel (refereegranskat)abstract
- Dalton is a powerful general-purpose program system for the study of molecular electronic structure at the Hartree-Fock, Kohn-Sham, multiconfigurational self-consistent-field, MOller-Plesset, configuration-interaction, and coupled-cluster levels of theory. Apart from the total energy, a wide variety of molecular properties may be calculated using these electronic-structure models. Molecular gradients and Hessians are available for geometry optimizations, molecular dynamics, and vibrational studies, whereas magnetic resonance and optical activity can be studied in a gauge-origin-invariant manner. Frequency-dependent molecular properties can be calculated using linear, quadratic, and cubic response theory. A large number of singlet and triplet perturbation operators are available for the study of one-, two-, and three-photon processes. Environmental effects may be included using various dielectric-medium and quantum-mechanics/molecular-mechanics models. Large molecules may be studied using linear-scaling and massively parallel algorithms. Dalton is distributed at no cost from for a number of UNIX platforms.
|
|
| 2. |
- Raaschou-Nielsen, Ole, et al.
(författare)
-
Air pollution and lung cancer incidence in 17 European cohorts : prospective analyses from the European Study of Cohorts for Air Pollution Effects (ESCAPE)
- 2013
-
Ingår i: The Lancet Oncology. - 1470-2045 .- 1474-5488. ; 14:9, s. 813-822
-
Tidskriftsartikel (refereegranskat)abstract
- BACKGROUND: Ambient air pollution is suspected to cause lung cancer. We aimed to assess the association between long-term exposure to ambient air pollution and lung cancer incidence in European populations.METHODS: This prospective analysis of data obtained by the European Study of Cohorts for Air Pollution Effects used data from 17 cohort studies based in nine European countries. Baseline addresses were geocoded and we assessed air pollution by land-use regression models for particulate matter (PM) with diameter of less than 10 μm (PM10), less than 2·5 μm (PM2·5), and between 2·5 and 10 μm (PMcoarse), soot (PM2·5absorbance), nitrogen oxides, and two traffic indicators. We used Cox regression models with adjustment for potential confounders for cohort-specific analyses and random effects models for meta-analyses.FINDINGS: The 312 944 cohort members contributed 4 013 131 person-years at risk. During follow-up (mean 12·8 years), 2095 incident lung cancer cases were diagnosed. The meta-analyses showed a statistically significant association between risk for lung cancer and PM10 (hazard ratio [HR] 1·22 [95% CI 1·03-1·45] per 10 μg/m(3)). For PM2·5 the HR was 1·18 (0·96-1·46) per 5 μg/m(3). The same increments of PM10 and PM2·5 were associated with HRs for adenocarcinomas of the lung of 1·51 (1·10-2·08) and 1·55 (1·05-2·29), respectively. An increase in road traffic of 4000 vehicle-km per day within 100 m of the residence was associated with an HR for lung cancer of 1·09 (0·99-1·21). The results showed no association between lung cancer and nitrogen oxides concentration (HR 1·01 [0·95-1·07] per 20 μg/m(3)) or traffic intensity on the nearest street (HR 1·00 [0·97-1·04] per 5000 vehicles per day).INTERPRETATION: Particulate matter air pollution contributes to lung cancer incidence in Europe.FUNDING: European Community's Seventh Framework Programme.
|
|
| 3. |
|
|
| 4. |
|
|
| 5. |
|
|
| 6. |
- Cesaroni, Giulia, et al.
(författare)
-
Long term exposure to ambient air pollution and incidence of acute coronary events : prospective cohort study and meta-analysis in 11 European cohorts from the ESCAPE Project
- 2014
-
Ingår i: The BMJ. - : BMJ. - 1756-1833. ; 348, s. f7412-
-
Tidskriftsartikel (refereegranskat)abstract
- Objectives To study the effect of long term exposure to airborne pollutants on the incidence of acute coronary events in 11 cohorts participating in the European Study of Cohorts for Air Pollution Effects (ESCAPE). Design Prospective cohort studies and meta-analysis of the results. Setting Cohorts in Finland, Sweden, Denmark, Germany, and Italy. Participants 100 166 people were enrolled from 1997 to 2007 and followed for an average of 11.5 years. Participants were free from previous coronary events at baseline. Main outcome measures Modelled concentrations of particulate matter <2.5 mu m (PM2.5), 2.5-10 mu m (PMcoarse), and <10 mu m (PM10) in aerodynamic diameter, soot (PM2.5 absorbance), nitrogen oxides, and traffic exposure at the home address based on measurements of air pollution conducted in 2008-12. Cohort specific hazard ratios for incidence of acute coronary events (myocardial infarction and unstable angina) per fixed increments of the pollutants with adjustment for sociodemographic and lifestyle risk factors, and pooled random effects meta-analytic hazard ratios. Results 5157 participants experienced incident events. A 5 mu g/m(3) increase in estimated annual mean PM2.5 was associated with a 13% increased risk of coronary events (hazard ratio 1.13, 95% confidence interval 0.98 to 1.30), and a 10 mu g/m(3) increase in estimated annual mean PM10 was associated with a 12% increased risk of coronary events (1.12, 1.01 to 1.25) with no evidence of heterogeneity between cohorts. Positive associations were detected below the current annual European limit value of 25 mu g/m(3) for PM2.5 (1.18, 1.01 to 1.39, for 5 mu g/m(3) increase in PM2.5) and below 40 mu g/m(3) for PM10 (1.12, 1.00 to 1.27, for 10 mu g/m(3) increase in PM10). Positive but non-significant associations were found with other pollutants. Conclusions Long term exposure to particulate matter is associated with incidence of coronary events, and this association persists at levels of exposure below the current European limit values.
|
|
| 7. |
|
|
| 8. |
|
|
| 9. |
|
|
| 10. |
- Wang, Meng, et al.
(författare)
-
Performance of multi-city land use regression models for nitrogen dioxide and fine particles
- 2014
-
Ingår i: Journal of Environmental Health Perspectives. - : Public Health Services, US Dept of Health and Human Services. - 0091-6765 .- 1552-9924. ; 122:8, s. 843-849
-
Tidskriftsartikel (refereegranskat)abstract
- BACKGROUND: Land use regression (LUR) models have been developed mostly to explain intraurban variations in air pollution based on often small local monitoring campaigns. Transferability of LUR models from city to city has been investigated, but little is known about the performance of models based on large numbers of monitoring sites covering a large area.OBJECTIVES: We aimed to develop European and regional LUR models and to examine their transferability to areas not used for model development.METHODS: We evaluated LUR models for nitrogen dioxide (NO2) and particulate matter (PM; PM2.5, PM2.5 absorbance) by combining standardized measurement data from 17 (PM) and 23 (NO2) ESCAPE (European Study of Cohorts for Air Pollution Effects) study areas across 14 European countries for PM and NO2. Models were evaluated with cross-validation (CV) and hold-out validation (HV). We investigated the transferability of the models by successively excluding each study area from model building.RESULTS: The European model explained 56% of the concentration variability across all sites for NO2, 86% for PM2.5, and 70% for PM2.5 absorbance. The HV R2s were only slightly lower than the model R2 (NO2, 54%; PM2.5, 80%; PM2.5 absorbance, 70%). The European NO2, PM2.5, and PM2.5 absorbance models explained a median of 59%, 48%, and 70% of within-area variability in individual areas. The transferred models predicted a modest-to-large fraction of variability in areas that were excluded from model building (median R2: NO2, 59%; PM2.5, 42%; PM2.5 absorbance, 67%).CONCLUSIONS: Using a large data set from 23 European study areas, we were able to develop LUR models for NO2 and PM metrics that predicted measurements made at independent sites and areas reasonably well. This finding is useful for assessing exposure in health studies conducted in areas where no measurements were conducted.
|
|
| 11. |
|
|
| 12. |
|
|
| 13. |
|
|
| 14. |
|
|
| 15. |
|
|
| 16. |
|
|
| 17. |
- Dimakopoulou, Konstantina, et al.
(författare)
-
Air Pollution and Nonmalignant Respiratory Mortality in 16 Cohorts within the ESCAPE Project
- 2014
-
Ingår i: American Journal of Respiratory and Critical Care Medicine. - : American Thoracic Society. - 1073-449X .- 1535-4970. ; 189:6, s. 684-696
-
Tidskriftsartikel (refereegranskat)abstract
- Rationale: Prospective cohort studies have shown that chronic exposure to particulate matter and traffic-related air pollution is associated with reduced survival. However, the effects on nonmalignant respiratory mortality are less studied, and the data reported are less consistent. Objectives: We have investigated the relationship of long-term exposure to air pollution and nonmalignant respiratory mortality in 16 cohorts with individual level data within the multicenter European Study of Cohorts for Air Pollution Effects (ESCAPE). Methods: Data from 16 ongoing cohort studies from Europe were used. The total number of subjects was 307,553. There were 1,559 respiratory deaths during follow-up. Measurements and Main Results: Air pollution exposure was estimated by land use regression models at the baseline residential addresses of study participants and traffic-proximity variables were derived from geographical databases following a standardized procedure within, the ESCAPE study. Cohort-specific hazard ratios obtained by Cox proportional hazard models from standardized individual cohort analyses were combined using metaanalyses. We found no significant associations between air pollution exposure and nonmalignant respiratory mortality. Most hazard ratios were slightly below unity, with the exception of the traffic-proximity indicators. Conclusions: In this study of 16 cohorts, there was no-association between air pollution exposure and nonmalignant respiratory mortality.
|
|
| 18. |
|
|
| 19. |
|
|
| 20. |
|
|
| 21. |
|
|
| 22. |
- Eriksen, C, et al.
(författare)
-
Rebuttal letter
- 2011
-
Ingår i: BREAST CANCER RESEARCH AND TREATMENT. - 0167-6806. ; 129:1, s. 289-289
-
Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)
|
|
| 23. |
|
|
| 24. |
|
|
| 25. |
- Eriksen, Janus J., et al.
(författare)
-
Computational Protocols for Prediction of Solute NMR Relative Chemical Shifts. A Case Study of L-Tryptophan in Aqueous Solution
- 2011
-
Ingår i: Journal of Computational Chemistry. - : Wiley. - 0192-8651 .- 1096-987X. ; 32:13, s. 2853-2864
-
Tidskriftsartikel (refereegranskat)abstract
- In this study, we have applied two different spanning protocols for obtaining the molecular conformations of L-tryptophan in aqueous solution, namely a molecular dynamics simulation and a molecular mechanics conformational search with subsequent geometry re-optimization of the stable conformers using a quantum mechanically based method. These spanning protocols represent standard ways of obtaining a set of conformations on which NMR calculations may be performed. The results stemming from the solute-solvent configurations extracted from the MD simulation at 300 K are found to be inferior to the results stemming from the conformations extracted from the MM conformational search in terms of replicating an experimental reference as well as in achieving the correct sequence of the NMR relative chemical shifts of L-tryptophan in aqueous solution. We find this to be due to missing conformations visited during the molecular dynamics run as well as inaccuracies in geometrical parameters generated from the classical molecular dynamics simulations.
|
|
| 26. |
|
|
| 27. |
- Feldmann, M., et al.
(författare)
-
Economic and durable design of composite bridges with integral abutments
- 2010
-
Rapport (refereegranskat)abstract
- In the design and construction of bridges, questions of sustainability, maintenance and durability are becoming more and more important for European road administrations, in addition to safety and serviceability issues. Therefore integral abutment bridges are becoming highly attractive to designers, constructors and road administrations, as they tend to be less expensive to build, easier to maintain and more economical to own over their life time. Bearings and joints are main sources of maintenance costs during a lifetime. These costs vanish because the bridges are joint- and bearing-free. However, this very advantage complicates the design compared to conventional bridges in some crucial respects. Combined with the fact that most European countries have only limited experience with integral bridges to date, this leads to a reluctance of road administrations to use this bridge type. Thus the main objective of the project is to experimentally and theoretically investigate the behaviour of critical points of integral abutment bridges. Regarding the soil-structure interaction, recommendations are elaborated based on monitoring results as well as previous research and monitoring campaigns. Conventional HP piles and sheet piles are investigated as a foundation. Furthermore a hinged HP connection is developed to decrease the stresses in the pile system. An investigation of the design and construction of the slab to pavement approach is also carried out to avoid major damages to the structure. Finally the most important information is condensed into the essential features in form of a 'Design guide for composite bridges with integral abutments'
|
|
| 28. |
- Feldmann, M., et al.
(författare)
-
Economic and durable design of composite bridges with integral abutments (INTAB+)
- 2012
-
Rapport (refereegranskat)abstract
- In the design and construction of bridges, questions of sustainability, maintenance and durability become more and more important for European road administrations in addition to safety and serviceability issues. Therefore integral abutment bridges become highly attractive to designers, constructors and road administrations as they tend to be less expensive to build, easier to maintain and more economical to own over their lifetime. However in Europe less experience in building integral bridges has been gained so far. Therefore in 2005 the European RFCS-projects INTAB has been launched. Within the scope of the project, universities, consulting engineering companies as well as steel producers worked together to develop economic and safe solutions for composite bridges with integral abutments. Significant knowledge has been gained and cost-effective, environmentally friendly and sustainable bridge structures have been developed. Furthermore their durability has been proven to obtain competitive composite bridges for small and medium spans. The outcome of that project was reworked within the scope of the current project to make it available to a larger number of practitioners. To disseminate the knowledge, two workshops have been organised. A design guide was written and translated into German and French. It was completed by a design example as well as CEN-recommendations regarding actual Eurocodes. A software tool was written to help designers to perform some calculations regarding the design of integral abutment bridges.
|
|
| 29. |
- Iqbal, Naveed, et al.
(författare)
-
Inflation adjusted LCCA of a comparative study of an Integral abutment bridge and a Concrete bridge with expansion joints
- 2010
-
Ingår i: Sustainable construction - a life cycle approach in engineering. - 9789993209171 ; , s. 151-161
-
Konferensbidrag (refereegranskat)abstract
- Gervasio H. et al [1]in there comparative life cycle analysis of an integral abutment composite bridge and concrete bridge have established the advantages of integral bridge due to its limited initial construction cost and maintenance and repair costs during its life cycle. This paper is based on the same data with a modification to the life cycle cost analysis of the bridge by using an inflation adjusted discount rate. In standard bridge structures, expansion joints are one of the most expensive components to maintain. In this regard, joint less bridge have major advantages. Integral bridges are built without joints, they span from one abutment to the other abutment, possibly over intermediate piers, without any joints in the deck. The absence of joints and bearings results in savings in initial costs and reduce maintenance efforts. Apart from economic benefits, the reduction of maintenance leads to less disturbance of the traffic over the bridge and thus to smaller environmental and social impacts. In this paper a case study is presented with the purpose of making a comparative life cycle analysis between an integral composite bridge and a concrete bridge with expansion joints. The result of this life cycle analysis will enhance the advantages of the former solution in regards to the economic and environmental aspects.
|
|
| 30. |
- Jacobsson, H, et al.
(författare)
-
Mesalazine-induced renal calculi
- 2013
-
Ingår i: The American journal of case reports. - 1941-5923. ; 14, s. 551-3
-
Tidskriftsartikel (refereegranskat)
|
|
| 31. |
- Karlsson, Sten, et al.
(författare)
-
A genetic marker for the maternal identification of Atlantic salmon x brown trout hybrids
- 2013
-
Ingår i: Conservation Genetics Resources. - : Springer Science and Business Media LLC. - 1877-7252 .- 1877-7260. ; 5:1, s. 47-49
-
Tidskriftsartikel (refereegranskat)abstract
- Interspecific hybridization between Atlantic salmon and brown trout is well documented, but why it should vary so much among populations is not clear. Determining the maternal origin of hybrids can provide insights into the mechanisms underlying interspecific hybridization, but this information is lacking in many studies. Here we present a species-specific mitochondrial DNA marker for the identification of the maternal origin of hybrids. This marker involves only one PCR step followed by fragment analysis, can be integrated within PCR multiplexing for existing nuclear markers for hybrid identification, and is therefore faster and more cost-effective than previous methods.
|
|
| 32. |
|
|
| 33. |
- Mosti, M P, et al.
(författare)
-
Effects of the peroxisome proliferator-activated receptor (PPAR)-δ agonist GW501516 on bone and muscle in ovariectomized rats
- 2014
-
Ingår i: Endocrinology. - : Endocrine Society. - 0013-7227 .- 1945-7170. ; 155:6, s. 2178-2189
-
Tidskriftsartikel (refereegranskat)abstract
- Estrogen deficiency promotes bone loss and skeletal muscle dysfunction. Peroxisome proliferator-activated receptors (PPARs) have 3 subtypes (α, δ, and γ). PPARγ agonists induce bone loss, whereas PPARα agonists increase bone mass. Although PPARδ agonists are known to influence skeletal muscle metabolism, the skeletal effects are unsettled. This study investigated the musculoskeletal effects of the PPARδ agonist GW501516 in ovariectomized (OVX) rats. Female Sprague Dawley rats, 12 weeks of age, were allocated to a sham-operated group and 3 OVX groups; high-dose GW501516 (OVX-GW5), low-dose GW501516 (OVX-GW1), and a control group (OVX-CTR), respectively (n = 12 per group). Animals received GW501516 or vehicle (methylcellulose) daily for 4 months by gavage. Bone mineral density (BMD) was assessed by dual x-ray absorptiometry at the femur, spine, and whole body. Bone microarchitecture at the proximal tibia was assessed by microcomputed tomography, and dynamic histomorphometry was performed. Quadriceps muscle morphology and the relative expression of mitochondrial proteins were analyzed. Bone metabolism markers and metabolic markers were measured in plasma. After 4 months, the OVX-GW5 group displayed lower femoral BMD than OVX-CTR. Trabecular separation was higher in the GW-treated groups, compared with OVX-CTR. The OVX-GW5 group also exhibited lower cortical area fraction and a higher structure model index than OVX-CTR. These effects coincided with impaired bone formation in both GW groups. The OVX-GW5 group displayed elevated triglyceride levels and reduced adiponectin levels, whereas no effects on muscle morphology or mitochondrial gene expression appeared. In summary, the PPARδ agonist GW501516 negatively affected bone properties in OVX rats, whereas no effects were detected in skeletal muscle.
|
|
| 34. |
|
|
| 35. |
|
|
| 36. |
|
|
