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Sökning: WFRF:(Niklasson M.)

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1.
  • Coll, M., et al. (författare)
  • Towards Oxide Electronics: a Roadmap
  • 2019
  • Ingår i: Applied Surface Science. - : Elsevier BV. - 0169-4332 .- 1873-5584. ; 482, s. 1-93
  • Tidskriftsartikel (refereegranskat)abstract
    • At the end of a rush lasting over half a century, in which CMOS technology has been experiencing a constant and breathtaking increase of device speed and density, Moore’s law is approaching the insurmountable barrier given by the ultimate atomic nature of matter. A major challenge for 21st century scientists is finding novel strategies, concepts and materials for replacing silicon-based CMOS semiconductor technologies and guaranteeing a continued and steady technological progress in next decades. Among the materials classes candidate to contribute to this momentous challenge, oxide films and heterostructures are a particularly appealing hunting ground. The vastity, intended in pure chemical terms, of this class of compounds, the complexity of their correlated behaviour, and the wealth of functional properties they display, has already made these systems the subject of choice, worldwide, of a strongly networked, dynamic and interdisciplinary research community. Oxide science and technology has been the target of a wide four-year project, named Towards Oxide-Based Electronics (TO-BE), that has been recently running in Europe and has involved as participants several hundred scientists from 29 EU countries. In this review and perspective paper, published as a final deliverable of the TO-BE Action, the opportunities of oxides as future electronic materials for Information and Communication Technologies ICT and Energy are discussed. The paper is organized as a set of contributions, all selected and ordered as individual building blocks of a wider general scheme. After a brief preface by the editors and an introductory contribution, two sections follow. The first is mainly devoted to providing a perspective on the latest theoretical and experimental methods that are employed to investigate oxides and to produce oxide-based films, heterostructures and devices. In the second, all contributions are dedicated to different specific fields of applications of oxide thin films and heterostructures, in sectors as data storage and computing, optics and plasmonics, magnonics, energy conversion and harvesting, and power electronics.
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  • Krackhardt, F., et al. (författare)
  • Results from the "Me & My Heart" (eMocial) Study: a Randomized Evaluation of a New Smartphone-Based Support Tool to Increase Therapy Adherence of Patients with Acute Coronary Syndrome
  • 2023
  • Ingår i: Cardiovascular Drugs and Therapy. - : Springer Science and Business Media LLC. - 0920-3206 .- 1573-7241. ; 37:4, s. 729-741
  • Tidskriftsartikel (refereegranskat)abstract
    • Purpose This study evaluated whether patient support, administered via an electronic device-based app, increased adherence to treatment and lifestyle changes in patients with acute coronary syndrome (ACS) treated with ticagrelor in routine clinical practice. Methods Patients (aged >= 18 years) with diagnosed ACS treated with ticagrelor co-administered with low-dose acetylsalicylic acid were randomized into an active group (with support tool app for medication intake reminders and motivational messages) and a control group (without support tool app), and observed for 48 weeks (ClinicalTrials.gov Identifier: NCT02615704). Patients were asked to complete the 36-item Short-Form Health Survey (SF-36) and Lifestyle Changes Questionnaire (LSQ), and were assessed for blood pressure and body mass index (BMI) at baseline (visit 1) and at the end of the study (visit 2). Medication adherence was measured using the Brilique Adherence Questionnaire (BAQ). Results Patients (N = 676) were randomized to an active (n = 342) or a control (n = 334) group. BAQ data were available for 174 patients in the active group and 174 patients in the control group. Over the 48-week period, mean (standard deviation) adherence for the active and control groups was 96.4% (13.2%) and 91.5% (23.1%), respectively (effect of app intervention, p < 0.05). There were no significant differences in blood pressure and BMI between visits. General improvements in SF-36 and LSQ scores were observed for both groups. Conclusion The patient support tool app was associated with significant improvements in patient-reported treatment adherence compared with a data collection app alone in patients prescribed ticagrelor for ACS.
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  • Gesheva, Kostadinka, et al. (författare)
  • Optical, structural and electrochromic properties of sputter deposited W-Mo oxide thin films
  • 2016
  • Ingår i: INERA CONFERENCE. - : Institute of Physics Publishing (IOPP).
  • Konferensbidrag (refereegranskat)abstract
    • Thin metal oxide films were investigated by a series of characterization techniques including impedance spectroscopy, spectroscopic ellipsometry, Raman spectroscopy, and Atomic Force Microscopy. Thin film deposition by reactive DC magnetron sputtering was performed at the Ångström Laboratory. W and Mo targets (5 cm diameter) and various oxygen gas flows were employed to prepare samples with different properties, whereas the gas pressure was kept constant at about 30 mTorr. The substrates were 5×5 cm2 plates of unheated glass pre-coated with ITO having a resistance of 40 ohm/sq. Film thicknesses were around 300nm as determined by surface profilometry. Newly acquired equipment was used to study optical spectra, optoelectronic properties, and film structure. Films of WO3 and of mixed W–Mo oxide with three compositions showed coloring and bleaching under the application of a small voltage. Cyclic voltammograms were recorded with a scan rate of 5 mV s–1. Ellipsometric data for the optical constants show dependence on the amount of MoOx in the chemical composition. Single MoOx film, and the mixed one with only 8% MoOx have the highest value of refractive index, and similar dispersion in the visible spectral range. Raman spectra displayed strong lines at wavenumbers between 780 cm–1 and 950 cm–1 related to stretching vibrations of WO3, and MoO3. AFM gave evidence for domains of different composition in mixed W-Mo oxide films.
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  • Isroi, Isroi, 1974, et al. (författare)
  • Structural Changes of Oil Palm Empty Fruit Bunch (OPEFB) after Fungal and Phosphoric Acid Pretreatment
  • 2012
  • Ingår i: Molecules. - : MDPI AG. - 1420-3049 .- 1420-3049 .- 1431-5157. ; 17:12, s. 14995-15012
  • Tidskriftsartikel (refereegranskat)abstract
    • Oil palm empty fruit bunch (OPEFB) was pretreated using white-rot fungus Pleurotus floridanus, phosphoric acid or their combination, and the results were evaluated based on the biomass components, and its structural and morphological changes. The carbohydrate losses after fungal, phosphoric acid, and fungal followed by phosphoric acid pretreatments were 7.89%, 35.65%, and 33.77%, respectively. The pretreatments changed the hydrogen bonds of cellulose and linkages between lignin and carbohydrate, which is associated with crystallinity of cellulose of OPEFB. Lateral Order Index (LOI) of OPEFB with no pretreatment, with fungal, phosphoric acid, and fungal followed by phosphoric acid pretreatments were 2.77, 1.42, 0.67, and 0.60, respectively. Phosphoric acid pretreatment showed morphological changes of OPEFB, indicated by the damage of fibre structure into smaller particle size. The fungal-, phosphoric acid-, and fungal followed by phosphoric acid pretreatments have improved the digestibility of OPEFB's cellulose by 4, 6.3, and 7.4 folds, respectively.
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  • Kabir, M. M., et al. (författare)
  • Biogas production from lignocelluloses by N-methylmorpholine-N-oxide (NMMO) pretreatment: Effects of recovery and reuse of NMMO
  • 2014
  • Ingår i: Bioresource Technology. - : Elsevier BV. - 0960-8524 .- 1873-2976. ; 161, s. 446-450
  • Tidskriftsartikel (refereegranskat)abstract
    • The effects of N-methylmorpholine-N-oxide (NMMO) pretreatment on barley straw and forest residues were investigated for biogas production. The pretreatments were performed at 90 degrees C with 85% NMMO for 3-30 h. The best pretreatment conditions resulted in 100% improvement in methane yield during the subsequent digestion compared to that of the untreated lignocelluloses. Methane yields of 0.23 and 0.15 Nm(3) CH4/kg VS were obtained from barley straw and forest residues, respectively, corresponding to 88% and 83% of the theoretical yields. In addition, the effects of the pretreatment with recovered and reused NMMO was also studied over the course of five cycles. Pretreatment with recycled NMMO showed the same performance as the fresh NMMO on barley straw. However, pretreatment of forest residues with recycled NMMO resulted in 55% reduction in methane yield.
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  • Olausson, E, et al. (författare)
  • Diffuse myocardial fibrosis associates with incident ventricular arrhythmia in implantable cardioverter defibrillator recipients
  • 2023
  • Ingår i: medRxiv : the preprint server for health sciences. - : Cold Spring Harbor Laboratory.
  • Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)abstract
    • BackgroundDiffuse myocardial fibrosis (DMF) quantified by extracellular volume (ECV) may represent a vulnerable phenotype and associate with life threatening ventricular arrhythmias more than focal myocardial fibrosis. This principle remains important because 1) risk stratification for implantable cardioverter defibrillators (ICD) remains challenging, and 2) DMF may respond to current or emerging medical therapies (reversible substrate).ObjectivesTo evaluate the association between quantified by ECV in myocardium without focal fibrosis by late gadolinium enhancement (LGE) with time from ICD implantation to 1) appropriate shock, or 2) shock or anti-tachycardia pacing.MethodsAmong patients referred for cardiovascular magnetic resonance (CMR) without congenital disease, hypertrophic cardiomyopathy, or amyloidosis who received ICDs (n=215), we used Cox regression to associate ECV with incident ICD therapy.ResultsAfter a median of 2.9 (IQR 1.5-4.2) years, 25 surviving patients experienced ICD shock and 44 experienced shock or anti-tachycardia pacing. ECV ranged from 20.2% to 39.4%. No patient with ECV<25% experienced an ICD shock. ECV associated with both endpoints, e.g., hazard ratio 2.17 (95%CI 1.17-4.00) for every 5% increase in ECV, p=0.014 in a stepwise model for ICD shock adjusting for ICD indication, age, smoking, atrial fibrillation, and myocardial infarction, whereas focal fibrosis by LGE and global longitudinal strain (GLS) did not.ConclusionsDMF measured by ECV associates with ventricular arrhythmias requiring ICD therapy in a dose-response fashion, even adjusting for potential confounding variables, focal fibrosis by LGE, and GLS. ECV-based risk stratification and DMF representing a therapeutic target to prevent ventricular arrhythmia warrant further investigation.Condensed AbstractAnalogous to heart failure and mortality outcomes, diffuse myocardial fibrosis (DMF) quantified by extracellular volume (ECV) may represent a more vulnerable phenotype for life-threatening ventricular arrhythmia than focal myocardial fibrosis. In patients referred for cardiovascular magnetic resonance, we identified 215 subsequently receiving implantable cardioverter defibrillators (ICD). After a median of 2.9 (IQR 1.5-4.2) years, 25 patients experienced ICD shock and 44 experienced shock or anti-tachycardia pacing. ECV associated with ICD therapy in Cox regression models. Focal fibrosis variables or global longitudinal strain did not. ECV-based risk stratification and DMF representing a therapeutic target to prevent ventricular arrhythmia warrant further investigation.
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  • Finkelstein, Joshua, et al. (författare)
  • Mixed Precision Fermi-Operator Expansion on Tensor Cores from a Machine Learning Perspective
  • 2021
  • Ingår i: Journal of Chemical Theory and Computation. - : American Chemical Society (ACS). - 1549-9618 .- 1549-9626. ; 17:4, s. 2256-2265
  • Tidskriftsartikel (refereegranskat)abstract
    • We present a second-order recursive Fermi-operator expansion scheme using mixed precision floating point operations to perform electronic structure calculations using tensor core units. A performance of over 100 teraFLOPs is achieved for half-precision floating point operations on Nvidia’s A100 tensor core units. The second-order recursive Fermi-operator scheme is formulated in terms of a generalized, differentiable deep neural network structure, which solves the quantum mechanical electronic structure problem. We demonstrate how this network can be accelerated by optimizing the weight and bias values to substantially reduce the number of layers required for convergence. We also show how this machine learning approach can be used to optimize the coefficients of the recursive Fermi-operator expansion to accurately represent the fractional occupation numbers of the electronic states at finite temperatures.
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  • Finkelstein, Joshua, et al. (författare)
  • Quantum-Based Molecular Dynamics Simulations Using Tensor Cores
  • 2021
  • Ingår i: Journal of Chemical Theory and Computation. - : American Chemical Society (ACS). - 1549-9618 .- 1549-9626. ; 17:10, s. 6180-6192
  • Tidskriftsartikel (refereegranskat)abstract
    • Tensor cores, along with tensor processing units, represent a new form of hardware acceleration specifically designed for deep neural network calculations in artificial intelligence applications. Tensor cores provide extraordinary computational speed and energy efficiency but with the caveat that they were designed for tensor contractions (matrix-matrix multiplications) using only low-precision floating-point operations. Despite this perceived limitation, we demonstrate how tensor cores can be applied with high efficiency to the challenging and numerically sensitive problem of quantum-based Born-Oppenheimer molecular dynamics, which requires highly accurate electronic structure optimizations and conservative force evaluations. The interatomic forces are calculated on-the-fly from an electronic structure that is obtained from a generalized deep neural network, where the computational structure naturally takes advantage of the exceptional processing power of the tensor cores and allows for high performance in excess of 100 Tflops on a single Nvidia A100 GPU. Stable molecular dynamics trajectories are generated using the framework of extended Lagrangian Born-Oppenheimer molecular dynamics, which combines computational efficiency with long-term stability, even when using approximate charge relaxations and force evaluations that are limited in accuracy by the numerically noisy conditions caused by the low-precision tensor core floating-point operations. A canonical ensemble simulation scheme is also presented, where the additional numerical noise in the calculated forces is absorbed into a Langevin-like dynamics.
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  • Finkelstein, Joshua, et al. (författare)
  • Quantum Perturbation Theory Using Tensor Cores and a Deep Neural Network
  • 2022
  • Ingår i: Journal of Chemical Theory and Computation. - : American Chemical Society (ACS). - 1549-9618 .- 1549-9626. ; 18:7, s. 4255-4268
  • Tidskriftsartikel (refereegranskat)abstract
    • Time-independent quantum response calculations are performed using Tensor cores. This is achieved by mapping density matrix perturbation theory onto the computational structure of a deep neural network. The main computational cost of each deep layer is dominated by tensor contractions, i.e., dense matrix–matrix multiplications, in mixed-precision arithmetics, which achieves close to peak performance. Quantum response calculations are demonstrated and analyzed using self-consistent charge density-functional tight-binding theory as well as coupled-perturbed Hartree–Fock theory. For linear response calculations, a novel parameter-free convergence criterion is presented that is well-suited for numerically noisy low-precision floating point operations and we demonstrate a peak performance of almost 200 Tflops using the Tensor cores of two Nvidia A100 GPUs.
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  • Gómez, M.M., et al. (författare)
  • Dye-sensitized sputtered titanium oxide films for photovoltaic applications : influence of the O2/Ar gas flow ratio during the deposition
  • 2003
  • Ingår i: Solar Energy Materials and Solar Cells. - 0927-0248 .- 1879-3398. ; 76:1, s. 37-56
  • Tidskriftsartikel (refereegranskat)abstract
    • Titanium oxide films were prepared by reactive DC magnetron sputtering onto SnO2:F coated glass substrates. The O-2/Ar gas flow ratio was kept at a constant value Gamma during the deposition, and a series of films were deposited with 0.050 < Gamma < 0.072. Structural studies were performed by X-ray diffraction and transmission electron microscopy; the structure displayed penniform features with a clear dependence on F. Charge transport in the films was evaluated by use of time-resolved photocurrents; a diffusion model was fitted to the experimental data and two different transport mechanisms were proposed depending on the film stoichiometry. Dye sensitization in cis-dithiocyanato-bis(2,2'-bipyridyl-4,4'-dicarboxylate) ruthenium (II) was performed to evaluate incident photon-to-current conversion efficiency and solar cell properties of the films. These parameters showed a clear dependence on Gamma. Optical measurements gave evidence for the presence of polaron absorption for the film deposited at Gamma = 0.050.
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  • Granqvist, Claes-Göran, et al. (författare)
  • Towards the smart window : progress in electrochromics
  • 1997
  • Ingår i: Journal of Non-Crystalline Solids. - 0022-3093 .- 1873-4812. ; 218, s. 273-279
  • Tidskriftsartikel (refereegranskat)abstract
    • Electrochromic devices have the ability to produce reversible and persistent changes of their optical properties. The phenomenon is associated with joint ion and electron transport into/out of an electrochromic thin film, in most cases being a transition metal oxide. This paper outlines the various applications of such devices in smart windows suitable for energy-conscious architecture, in variable-reflectance mirrors, and in display devices. Critical materials issues and design concepts are discussed. The paper also covers two specific research topics: computed electronic structure of crystalline WO3 incorporating ionic species, showing how reflectance modulation emerges from a first-principles calculation; and Li+ dynamics in heavily disordered Ti oxide, illustrating how diffusion constants derived from impedance spectroscopy can be reconciled with the Anderson—Stuart model.
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  • Hagvall, Lina, 1978, et al. (författare)
  • Assessment of cross-reactivity of new less sensitizing epoxy resin monomers in epoxy resin-allergic individuals
  • 2016
  • Ingår i: Contact Dermatitis. - : Wiley. - 0105-1873. ; 75:3, s. 144-150
  • Tidskriftsartikel (refereegranskat)abstract
    • BackgroundMeasures to prevent occupational exposure to epoxy resins, including education, medical examination, and voluntary agreements between employers and workers, have not been effective enough to protect against skin sensitization. Therefore, alternatives to the major epoxy resin haptens that have been found to be less sensitizing in the local lymph node assay have been developed. ObjectivesTo study the cross-reactivity of two newly designed epoxy resin monomers, with decreased skin-sensitizing potency and good technical properties as compared with diglycidyl ether of bisphenol A (DGEBA), in subjects with known contact allergy to epoxy resin of DGEBA type. Patients and MethodsEleven individuals with previous positive patch test reactions to epoxy resin of DGEBA participated in the study. The two alternative epoxy resin monomers were synthesized and patch tested in dilution series in parallel with epoxy resin of DGEBA from the baseline series (containing 92% DGEBA). ResultsAll participants reacted to epoxy resin of DGEBA on retesting. Three participants reacted to monomer 1. No reactions were seen to monomer 2. ConclusionsThe alternative monomers studied showed little or no cross-reactivity with epoxy resin of DGEBA. Decreasing the risk of sensitization by using less sensitizing compounds is important, as contact allergy to epoxy resins is common in spite of thorough preventive measures.
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  • Hammar, M. L., et al. (författare)
  • Effects of hormonal replacement therapy on the postural balance among postmenopausal women
  • 1996
  • Ingår i: Obstetrics and Gynecology. - 0029-7844 .- 1873-233X. ; 88:6, s. 955-960
  • Tidskriftsartikel (refereegranskat)abstract
    • OBJECTIVE: To establish whether hormone replacement therapy affects postural balance in postmenopausal women. METHODS: Nineteen healthy postmenopausal women with vasomotor symptoms were included. Median age was 54 years, median time since menopause was 3 years. They underwent dynamic posturography before and after 4 and 12 weeks of transdermal estrogen treatment (17 beta-estradiol 50 micrograms/day) as well as after 2 additional weeks of combined estrogen-progestagen treatment. The dynamic posturography method quantifies the amplitude, frequency, and pattern of body sway and tests the visual, vestibular, and somatosensory systems, which together maintain balance. The two most difficult tests either cancel visual and distort somatosensory inputs or give distorted information from both the visual and somatosensory systems. RESULTS: Hormone replacement therapy increased static balance performance assessed by dynamic posturography. A highly significant improvement was seen in the two most difficult tests between the pretreatment test and the test performed after 4 weeks of estrogen therapy (P < .01, P < .001, respectively). This improvement was sustained after 12 weeks and also during the 14th week, with the women on combined estrogen-progestagen treatment. CONCLUSION: Estrogen treatment increased balance performance measured by dynamic posturography, indicating that the beneficial effects from estrogens on postmenopausal fracture risk may include central nervous system effects on balance. Two weeks' addition of gestagen to the treatment regimen did not counteract the estrogen effects.
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  • Harmini, Sri, et al. (författare)
  • Fungal Pretreatment of Oil Palm Empty Fruit Bunch : Effect of Manganese and Nitrogen
  • 2013
  • Ingår i: Cellulose Chemistry and Technology. - : Editura Academiei Romane. - 0576-9787. ; 47:9-10, s. 751-757
  • Tidskriftsartikel (refereegranskat)abstract
    • Oil palm empty fruit bunch (OPEFB) was biologically pretreated using Pleurotus floridanus LIPIMC996 supplemented with various concentrations of manganese and nitrogen and incubated for 35 days at 30°C, and enzyme activities of manganese peroxidase (MnP) and laccase were examined. When OPEFB was supplemented with manganese, the highest lignin reduction was achieved up to 25.0±5.6% at the addition of 200 μg Mn2+/g OPEFB.In addition, Pleurotus floridanus LIPIMC996 grew best on OPEFB supplemented with 800 μg Mn2+/g OPEFB. When OPEFB was supplemented with nitrogen, the highest lignin reduction was achieved up to 27.2± 3.5% at the addition of 20 mM nitrogen. The best growth of Pleurotus floridanus was also achieved with the addition of 20 mM nitrogen. The addition of nitrogen and manganese on OPEFB did not significantly affect the activity of MnP and laccase.
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  • Karis, O., et al. (författare)
  • Observation of short- and long-range hybridization of a buried Cu monolayer in Ni
  • 2000
  • Ingår i: Physical Review B Condensed Matter. - 0163-1829 .- 1095-3795. ; 62:24, s. R16239-R16242
  • Tidskriftsartikel (refereegranskat)abstract
    • The electronic structure of a Cu monolayer buried in Ni fcc(100) is studied by means of x-ray emission and absorption spectroscopies in combination with first principles calculations. The local character of the x-ray probes allows us to investigate changes in the chemical interaction for these ultrathin film systems. In comparison to bulk Cu, the occupied d states of a buried Cu monolayer, as mapped in the x-ray emission spectrum, remain mostly unaltered. The absorption spectrum on the other hand shows that the empty states of the buried Cu monolayer are modified, and instead resemble the unoccupied electronic density of bulk Ni. These findings agree well with our first principle electronic structure calculations and the results are interpreted in terms of short- and long-range hybridization.
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  • Karis, O, et al. (författare)
  • Probing surface states of Cu/Ni thin films using x-ray absorption spectroscopy
  • 2001
  • Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 63:11
  • Tidskriftsartikel (refereegranskat)abstract
    • Surface and interface properties of Cu thin films (1–4 monolayers) deposited on Ni(100) have been extracted by means of x-ray absorption spectroscopy and analyzed in combination with ab initio density-functional calculations. An unoccupied Cu surface state is identified in an x-ray absorption spectra and studied as a function of film thickness. Experimental data is supported by calculations of the layer-resolved density of states and the results from this combined theoretical-experimental effort show that the surface state is almost entirely located on the atomic layer closest to the vacuum. Our results also indicate strong hybridization between unoccupied states at the Cu/Ni interface boundary.
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  • Maanja, M, et al. (författare)
  • An electrocardiography score predicts heart failure hospitalization or death beyond that of cardiovascular magnetic resonance imaging
  • 2022
  • Ingår i: Scientific reports. - : Springer Science and Business Media LLC. - 2045-2322. ; 12:1, s. 18364-
  • Tidskriftsartikel (refereegranskat)abstract
    • The electrocardiogram (ECG) and cardiovascular magnetic resonance imaging (CMR) provide powerful prognostic information. The aim was to determine their relative prognostic value. Patients (n = 783) undergoing CMR and 12-lead ECG with a QRS duration < 120 ms were included. Prognosis scores for one-year event-free survival from hospitalization for heart failure or death were derived using continuous ECG or CMR measures, and multivariable logistic regression, and compared. Patients (median [interquartile range] age 55 [43–64] years, 44% female) had 155 events during 5.7 [4.4–6.6] years. The ECG prognosis score included (1) frontal plane QRS-T angle, and (2) heart rate corrected QT duration (QTc) (log-rank 55). The CMR prognosis score included (1) global longitudinal strain, and (2) extracellular volume fraction (log-rank 85). The combination of positive scores for both ECG and CMR yielded the highest prognostic value (log-rank 105). Multivariable analysis showed an association with outcomes for both the ECG prognosis score (log-rank 8.4, hazard ratio [95% confidence interval] 1.29 [1.09–1.54]) and the CMR prognosis score (log-rank 47, hazard ratio 1.90 [1.58–2.28]). An ECG prognosis score predicted outcomes independently of CMR. Combining the results of ECG and CMR using both prognosis scores improved the overall prognostic performance.
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  • Maghanga, Christopher M., et al. (författare)
  • Transparent and conducting TiO2:Nb films made by sputter deposition : Application to spectrally selective solar reflectors
  • 2010
  • Ingår i: Solar Energy Materials and Solar Cells. - : Elsevier BV. - 0927-0248 .- 1879-3398. ; 94:1, s. 75-79
  • Tidskriftsartikel (refereegranskat)abstract
    • Transparent and conducting thin films of TiO2:Nb were prepared on glass and aluminum substrates by dual-target reactive DC magnetron sputtering in an Ar+O-2 plasma. The Nb content lay between 0 and 4.9 at% as determined by ion beam analyses. X-ray diffraction showed that vacuum annealing at 450 degrees C led to crystallinity and prevalence of the anatase phase. The influence of Nb doping was studied with regard to structural, optical, and electrical data. Optical constants were determined from spectrophotometric recordings for films on glass, and the onset of free-electron behavior was documented for annealed films. The latter films, deposited onto Al2O3-coated Al, were found to display optically selective reflectance and to be useful for solar energy applications.
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  • Millati, R, et al. (författare)
  • 2nd Generation Ethanol by Zygomycetes Fungi at Elevated Temperature
  • 2013
  • Konferensbidrag (refereegranskat)abstract
    • Seven zygomycetes tempe isolates were screened for ethanol production at 40oC, 45oC, 50oC. All the isolates were able to produce ethanol at 40oC and three isolates were able to produce ethanol at 45oC. The corresponding ethanol yields were 0.39-0.47 g/g on glucose and 0.22- 0.26 g/g on glucose. No isolate could grow and produce ethanol at 50oC. One isolate was selected and used for ethanol production from untreated and fungal-pretreated oil palm empty fruit bunch (OPEFB), untreated and fungal-pretreated oat straw as well as Avicel by nonisothermal simultaneous saccharification and fermentation (NSSF). This NSSF included hydrolysis with cellulase and -glucosidase for 24 h at 45oC, followed by simultaneous saccharification and fermentation with the selected isolate at 40oC for 96 h. The NSSF of untreated and fungal-pretreated OPEFB, untreated and fungal-pretreated oat straw, and Avicel resulted in 14.10%, 14.25%, 27.28%, 49.88%, and 63.77% ethanol compared to the theoretical yield.
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  • Niklasson, M, et al. (författare)
  • A long-term record of Quercus decline, logging and fires in a southern Swedish Fagus-Picea forest
  • 2002
  • Ingår i: Journal of Vegetation Science. - 1654-1103. ; 13:6, s. 765-774
  • Tidskriftsartikel (refereegranskat)abstract
    • We reconstructed forest development and disturbance events (fire and logging) during the last 1000 yr with tree-ring data, pollen and charcoal analysis from a semi-natural Fagus sylvatica-Picea abies forest (ca. I km(2)) in the hemiboreal zone. According to pollen analysis, Quercus robur together with Pinus sylvestris was abundant in the forest until the turn of the 18th/19th centuries when these species disappeared completely (Quercus) or nearly completely (Pinus) and were replaced by Fagus and Picea. The disappearance of Quercus was corroborated by the remarkable discovery of a single Quercus stump that had been cut in the 18th century and had become overgrown and preserved by a very old Picea. In total I I fires were dated from 1555 to 1748 from fire scars in several Pinus stumps cut 100 - 200 yr ago. Since the last fire in 1748, no Quercus or Pinus have regenerated in the core of the reserve apart from single pines in neighbouring managed forest (80 yr ago). During the period of documented fires Fagus was protected from fires in a refuge made up of large boulders. Picea colonized the region at the time when the fires ceased 250 yr ago. We hypothesize that most of the fires were probably of human origin because of their patchiness and high frequency compared to the natural background levels of lightning ignitions in the region. On a 300-yr time scale, logging and fire suppression seem to strongly overshadow the effect of climate change on forest composition and dynamics.
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  • Odell, Anders, et al. (författare)
  • Higher-order symplectic integration in Born-Oppenheimer molecular dynamics
  • 2009
  • Ingår i: Journal of Chemical Physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 131:24
  • Tidskriftsartikel (refereegranskat)abstract
    • The extended Lagrangian formulation of time-reversible Born-Oppenheimer molecular dynamics [A. M. N. Niklasson, C. J. Tymczak, and M. Challacombe, Phys. Rev. Lett. 100, 123004 (2008); Phys. Rev. Lett. 97, 123001 (2006)] enables the use of geometric integrators in the propagation of both the nuclear and the electronic degrees of freedom on the Born-Oppenheimer potential energy surface. Different symplectic integrators up to the sixth order have been adapted and optimized in the framework of ab initio self-consistent-field theory. It is shown how the accuracy can be significantly improved compared to a conventional Verlet integration at the same level of computational cost, in particular, for the case of very high accuracy requirements.
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