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Search: WFRF:(Hald J.)

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  • Aidas, Kestutis, et al. (author)
  • The Dalton quantum chemistry program system
  • 2014
  • In: WIREs Computational Molecular Science. - : Wiley. - 1759-0876 .- 1759-0884. ; 4:3, s. 269-284
  • Journal article (peer-reviewed)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.
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  • Casar-Borota, Olivera, et al. (author)
  • Spindle cell oncocytoma of the adenohypophysis : report of a case with marked cellular atypia and recurrence despite adjuvant treatment.
  • 2009
  • In: Clinical Neuropathology. - 0722-5091. ; 28:2, s. 91-95
  • Journal article (peer-reviewed)abstract
    • Spindle cell oncocytoma (SCO) of the adenohypophysis is a recently defined pituitary tumor mimicking a non-functioning macroadenoma and composed of mitochondrion rich tumor cells, positive for S-100, vimentin, epithelial membrane antigen and galectin-3 but lacking cytokeratins, pituitary hormones, and neuroendocrine markers. Derivation from pituitary folliculostellate cells (FSCs) has been suggested based upon immunohistochemical and ultrastructural characteristics shared by SCO and FSCs. 10 cases of SCO have been reported to date; of these, 8 underwent a benign clinical course and 2 recurred. We report a case of SCO with typical histologic and immunohistochemical features in addition to marked cellular pleomorphism and nuclear atypia. It showed slow regrowth over a 30-month period of follow-up despite combined surgical and radiotherapy. Despite the benign course of most reported cases, additional experience with longer follow-up are needed to assess clinical, histopathologic, and proliferative indices and their relevance to optimal therapy for this rare pituitary tumor.
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  • Matus, M., et al. (author)
  • Key Comparison EURAMET.L-K1.2011 Measurement of gauge blocks by interferometry
  • 2016
  • In: Metrologia. - 0026-1394 .- 1681-7575. ; 53:1A
  • Journal article (peer-reviewed)abstract
    • The key comparison EURAMET.L-K1.2011 on gauge blocks was carried out in the framework of a EURAMET project starting in 2012 and ending in 2015. It involved the participation of 24 National Metrology Institutes from Europe and Egypt, respectively. 38 gauge blocks of steel and ceramic with nominal central lengths between 0.5 mm and 500 mm were circulated. The comparison was conducted in two loops with two sets of artifacts. A statistical technique for linking the reference values was applied. As a consequence the reference value of one loop is influenced by the measurements of the other loop although they did not even see the artifacts of the others. This influence comes solely from three "linking laboratories" which measure both sets of artifacts. In total there were 44 results were not fully consistent with the reference values. This represents 10% of the full set of 420 results which is a considerable high number. At least 12 of them are clearly outliers where the participants have been informed by the pilot as soon as possible. The comparison results help to support the calibration and measurement capabilities (CMCs) of the laboratories involved in the CIPM MRA.
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  • Nordling, J, et al. (author)
  • Primary evaluation of patients suspected of having interstitial cystitis (IC).
  • 2004
  • In: Eur Urol. - : Elsevier BV. ; 45:5, s. 662-669
  • Journal article (peer-reviewed)abstract
    • Article Outline 1. Introduction 1.1. History 1.2. Physical examination 1.3. Laboratory tests 1.4. Symptom evaluation 1.5. Urodynamics 1.5.1. Modified KCl test: comparative assessment of maximum bladder capacity 2. Cystoscopy 2.1. Technique 2.2. Inspection 3. Morphology 3.1. Biopsies 3.1.1. Number of biopsies 3.1.2. Biopsy handling 3.1.3. Mast cell counting 3.2. The pathology report References
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  • Cunningham, LK, et al. (author)
  • Reconstructions of surface ocean conditions from the North East Atlantic and Nordic Seas during the last Millennium
  • 2013
  • In: The Holocene. - : SAGE Publications. - 0959-6836 .- 1477-0911. ; 23:7, s. 921-935
  • Journal article (peer-reviewed)abstract
    • We undertake the first comprehensive effort to integrate North Atlantic marine climate records for the last millennium, highlighting some key components common within this system at a range of temporal and spatial scales. In such an approach, careful consideration needs to be given to the complexities inherent to the marine system. Composites therefore need to be hydrographically constrained and sensitive to both surface water mass variability and three-dimensional ocean dynamics. This study focuses on the northeast (NE) North Atlantic Ocean, particularly sites influenced by the North Atlantic Current. A composite plus regression approach is used to create an inter-regional NE North Atlantic reconstruction of sea surface temperature (SST) for the last 1000 years. We highlight the loss of spatial information associated with large-scale composite reconstructions of the marine environment. Regional reconstructions of SSTs off the Norwegian and Icelandic margins are presented, along with a larger-scale reconstruction spanning the NE North Atlantic. The latter indicates that the ‘Medieval Climate Anomaly’ warming was most pronounced before ad 1200, with a long-term cooling trend apparent after ad 1250. This trend persisted until the early 20th century, while in recent decades temperatures have been similar to those inferred for the ‘Medieval Climate Anomaly’. The reconstructions are consistent with other independent records of sea-surface and surface air temperatures from the region, indicating that they are adequately capturing the climate dynamics of the last millennium. Consequently, this method could potentially be used to develop large-scale reconstructions of SSTs for other hydrographically constrained regions.
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  • Bak, Nina Friis, et al. (author)
  • High-dose vitamin D3 supplementation decreases the number of colonic CD103+ dendritic cells in healthy subjects.
  • 2018
  • In: European journal of nutrition. - : Springer Science and Business Media LLC. - 1436-6215 .- 1436-6207. ; 57:7, s. 2607-2619
  • Journal article (peer-reviewed)abstract
    • Vitamin D may induce tolerance in the intestinal immune system and has been shown to regulate the phenotype of tolerogenic intestinal dendritic cells (DCs) in vitro. It is unknown whether vitamin D supplementation affects human intestinal DCs in vivo, and we aimed to investigate the tolerability and effect on intestinal CD103+DCs of high-dose vitamin D3 treatment in healthy subjects.Ten healthy subjects received a total of 480,000IU oral vitamin D3 over 15days and colonic biopsies were obtained before and after intervention by endoscopy. Lamina propria mononuclear cells (LPMCs) were isolated from the biopsies, stained with DC surface markers and analysed with flow cytometry. Snap-frozen biopsies were analysed with qPCR for DC and regulatory T cell-related genes.No hypercalcemia or other adverse events occurred in the test subjects. Vitamin D decreased the number of CD103+ DCs among LPMCs (p=0.006). Furthermore, vitamin D induced mRNA expression of TGF-β (p=0.048), TNF-α (p=0.006) and PD-L1 (p=0.02) and tended to induce IL-10 expression (p=0.06). Multivariate factor analysis discriminated between pre- and post-vitamin D supplementation with a combined increased qPCR expression of PD1, PD-L1, TGF-β, IL-10, CD80, CD86, FOXP3, NFATc2 and cathelicidin.High-dose vitamin D supplementation is well tolerated by healthy subjects and has a direct effect on the CD103+ DCs, local cytokine and surface marker mRNA expression in the colonic mucosa, suggestive of a shift towards a more tolerogenic milieu.
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  • Blumel, Edda, et al. (author)
  • Staphylococcal alpha-toxin tilts the balance between malignant and non-malignant CD4+ T cells in cutaneous T-cell lymphoma
  • 2019
  • In: Oncoimmunology. - : Taylor & Francis. - 2162-4011 .- 2162-402X. ; 8:11
  • Journal article (peer-reviewed)abstract
    • Staphylococcus aureus is implicated in disease progression in cutaneous T-cell lymphoma (CTCL). Here, we demonstrate that malignant T cell lines derived from CTCL patients as well as primary malignant CD4+ T cells from Sézary syndrome patients are considerably more resistant to alpha-toxin-induced cell death than their non-malignant counterparts. Thus, in a subset of Sézary syndrome patients the ratio between malignant and non-malignant CD4+ T cells increases significantly following exposure to alpha-toxin. Whereas toxin-induced cell death is ADAM10 dependent in healthy CD4+ T cells, resistance to alpha-toxin in malignant T cells involves both downregulation of ADAM10 as well as other resistance mechanisms. In conclusion, we provide first evidence that Staphylococcus aureus derived alpha-toxin can tilt the balance between malignant and non-malignant CD4+ T cells in CTCL patients. Consequently, alpha-toxin may promote disease progression through positive selection of malignant CD4+ T cells, identifying alpha-toxin as a putative drug target in CTCL.
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  • Fedorova, I., et al. (author)
  • On the non-equilibrium segregation of Boron in 9-12%Cr steels
  • 2017
  • In: 4th International ECCC Creep & Fracture Conference.
  • Conference paper (peer-reviewed)abstract
    • The addition of only 20-150 ppm of boron to martensitic 9-12%Cr steels has a strong enhancing effect on their creep strength, and boron-added martensitic creep strength enhanced steels have been introduced in power plant constructions. Boron is found to redistribute in the martensitic steels during cooling after normalizing in a non-equilibrium segregation process. In this work we attempt to quantify boron segregation during solution treatment in a martensitic 9%Cr steel containing 108 ppm of boron by atom probe tomography and transmission electron microscopy. The investigated material was a solution treated at 1100C for 1 h and cooled in air. Plate-like boride of Cr2B was found on a prior austenite grain boundary (PAGB). The distribution of B, Cr, Fe, Co, Mo, C and other elements in boride and matrix was quantified. Boron is considered to segregate onto PAGBs by non-equilibrium mechanism.
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  • Gunnarsson Sarius, Niklas, 1976-, et al. (author)
  • Influence of ultrasound and cathode rotation on the formation of intrinsic stress in Ni films during electrodeposition
  • 2011
  • In: Transactions of the Institute of Metal Finishing. - : Institute of Metal Finishing. - 0020-2967 .- 1745-9192. ; 89:3, s. 137-142
  • Journal article (peer-reviewed)abstract
    • The influence of 25 kHz ultrasound and cathode rotation during electroplating of Ni films on Si wafers has been studied with respect to intrinsic stress formation. Current densities from 1.6 A dm-2 up to 28.3 A dm-2 were used in an additive-free Ni sulphamate electrolyte. In general more efficient agitation by either ultrasound or cathode rotation was found to reduce intrinsic stress towards compressive levels compared to conventional agitation with an electrolyte circulation pump. Further more, intrinsic stresses become less dependent on changes in current density. The latter effect is most pronounced for ultrasonic agitation. Structure analysis of samples deposited by ultrasonic agitation show dense deposits with initially smaller grains at high ultrasonic effect. Locally increased temperature at the substrates surface could be an important effect of ultrasound agitation.
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  • Holst, Birgitte, et al. (author)
  • G Protein-Coupled Receptor 39 Deficiency Is Associated with Pancreatic Islet Dysfunction
  • 2009
  • In: Endocrinology. - : The Endocrine Society. - 0013-7227 .- 1945-7170. ; 150, s. 2577-2585
  • Journal article (peer-reviewed)abstract
    • G protein-coupled receptor (GPR)-39 is a seven-transmembrane receptor expressed mainly in endocrine and metabolic tissues that acts as a Zn++ sensor signaling mainly through the G(q) and G(12/13) pathways. The expression of GPR39 is regulated by hepatocyte nuclear factor (HNF)-1 alpha and HNF-4 alpha, and in the present study, we addressed the importance of GPR39 for glucose homeostasis and pancreatic islets function. The expression and localization of GPR39 were characterized in the endocrine pancreas and pancreatic cell lines. Gpr39(-/-) mice were studied in vivo, especially in respect of glucose tolerance and insulin sensitivity, and in vitro in respect of islet architecture, gene expression, and insulin secretion. Gpr39 was down-regulated on differentiation of the pluripotent pancreatic cell line AR42J cells toward the exocrine phenotype but was along with Pdx-1 strongly up-regulated on differentiation toward the endocrine phenotype. Immunohistochemistry demonstrated that GRP39 is localized selectively in the insulin-storing cells of the pancreatic islets as well as in the duct cells of the exocrine pancreas. Gpr39(-/-) mice displayed normal insulin sensitivity but moderately impaired glucose tolerance both during oral and iv glucose tolerance tests, and Gpr39(-/-) mice had decreased plasma insulin response to oral glucose. Islet architecture was normal in the Gpr39 null mice, but expression of Pdx-1 and Hnf-1 alpha was reduced. Isolated, perifused islets from Gpr39 null mice secreted less insulin in response to glucose stimulation than islets from wild-type littermates. It is concluded that GPR39 is involved in the control of endocrine pancreatic function, and it is suggested that this receptor could be a novel potential target for the treatment of diabetes. (Endocrinology 150: 2577-2585, 2009)
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  • Rashidi, Masoud, 1987, et al. (author)
  • Experimental and theoretical investigation of precipitate coarsening rate in Z-phase strengthened steels
  • 2018
  • In: Materialia. - : Elsevier B.V.. - 2589-1529. ; 4, s. 247-254
  • Journal article (peer-reviewed)abstract
    • Two Z-phase strengthened 12% Cr steels were investigated: they are similar in composition, however one steel contains Nb and the other contains Ta. Z-phase precipitates (CrMN, M = Nb or Ta) provide precipitation hardening for creep resistance at 650 °C in these steels. Experimental data based on the transmission electron microscopy investigation of the size evolution of Z-phase precipitates during isothermal ageing at 650 °C show that the Ta-based Z-phase benefits from a five times smaller coarsening constant compared to the Nb-based Z-phase. Theoretical calculations show that this is attributed to the smaller diffusivity of Ta compared to Nb in the steel matrix. Besides, comparing the size of the Ta-based Z-phase precipitates in the gauge and head portion of a crept specimen, it is shown that Z-phase coarsens faster under stress.
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  • Sarius, N.G., et al. (author)
  • Electroplating of nickel in grooves under the influence of low and medium frequency ultrasound
  • 2011
  • In: Journal for Electrochemistry and Plating Technology. - 1866-7406. ; 1:3, s. 19-28
  • Journal article (peer-reviewed)abstract
    • The effect of ultrasonics on filling properties has been studied by Ni electroplating from a sulphamate electrolyte in high aspect ratio grooves. The experiments have been performed with two different modes of ultrasound: a) 25 kHz ultrasound with an effect of 225 W directed perpendicular to the substrate surface; b) ultrasonic standing waves of 100 kHz and 400 kHz parallel to the substrate surface. It was found that both methods improve the filling in grooves that are between 0.35 and 1 mm wide with aspect ratios between 0.6 and 3, compared to electroplating with conventional agitation. Under the investigated conditions the 400 kHz standing wave parallel to the surface was most efficient to improve filling of grooves.
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  • Sarius, N.G., et al. (author)
  • Influence of ultrasound and cathode rotation on the formation of intrinsic stress in Ni films during electrodeposition
  • 2011
  • In: Transactions of the Institute of Metal Finishing. - 0020-2967 .- 1745-9192. ; 89:3, s. 137-142
  • Journal article (peer-reviewed)abstract
    • The influence of 25 kHz ultrasound and cathode rotation during electroplating of Ni films on Si wafers has been studied with respect to intrinsic stress formation. Current densities from 1·6 up to 28·3 A dm−2 were used in an additive free Ni sulphamate electrolyte. In general, more efficient agitation by either ultrasound or cathode rotation was found to reduce intrinsic stress towards compressive levels compared with conventional agitation with an electrolyte circulation pump. Furthermore, intrinsic stresses become less dependent on changes in current density. The latter effect is most pronounced for ultrasonic agitation. Structure analysis of samples deposited by ultrasonic agitation shows dense deposits with initially smaller grains at high ultrasonic effect. Locally increased temperature at the substrate surface could be an important effect of ultrasound agitation.
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