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Sökning: WFRF:(Augustsson J)

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1.
  • Söderström, J., et al. (författare)
  • X-ray yield and selectively excited X-ray emission spectra of atenolol and nadolol
  • 2005
  • Ingår i: Journal of Electron Spectroscopy and Related Phenomena. - : Elsevier BV. - 0368-2048 .- 1873-2526. ; 144, s. 283-285
  • Tidskriftsartikel (refereegranskat)abstract
    • A pre-study in a project aimed at increasing the understanding of drug solubility by applying X-ray spectroscopy to substances in solid phases, in aqueous solution, and in gas-phase is presented. Influence of the molecular surrounding on the local electronic structure is reflected in X-ray yield fine structure, and in site-selectively excited X-ray emission spectra. Results for atenolol and nadolol in solid form are discussed.
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2.
  • Lindmark, F, et al. (författare)
  • Interleukin-1 receptor antagonist haplotype associated with prostate cancer risk
  • 2005
  • Ingår i: British Journal of Cancer. - Umea Univ, Dept Radiat Sci Oncol, S-90187 Umea, Sweden. Wake Forest Univ, Bowman Gray Sch Med, Ctr Human Genom, Winston Salem, NC USA. Karolinska Inst, Dept Med Epidemiol & Biostat, Stockholm, Sweden. Johns Hopkins Med Inst, Dept Urol, Baltimore, MD 21205 USA. Orebro Univ Hosp, Dept Urol & Clin Med, Orebro, Sweden. Univ Hosp, Reg Oncol Ctr, Uppsala, Sweden. : NATURE PUBLISHING GROUP. - 0007-0920 .- 1532-1827. ; 93:4, s. 493-497
  • Tidskriftsartikel (refereegranskat)abstract
    • IL1-RN is an important anti-inflammatory cytokine that modulate the inflammation response by binding to IL1 receptors, and as a consequence inhibits the action of proinflammatory cytokines IL1 alpha and IL1 beta. In this study, we hypothesise that sequence variants in the IL1-RN gene are associated with prostate cancer risk. The study population, a population-based case - control study in Sweden, consisted of 1383 prostate cancer case patients and 779 control subjects. We first selected 18 sequence variants covering the IL1-RN gene and genotyped these single-nucleotide polymorphisms ( SNPs) in 96 control subjects. Gene-specific haplotypes of IL1-RN were constructed and four haplotype-tagging single-nucleotide polymorphisms (htSNPs) were identified (rs878972, rs315934, rs3087263 and rs315951) that could uniquely describe 495% of the haplotypes. All study subjects were genotyped for the four htSNPs. No significant difference in genotype frequencies between cases and controls were observed for any of the four SNPs based on a multiplicative genetic model. Overall there was no significant difference in haplotype frequencies between cases and controls; however, the prevalence of the most common haplotype (ATGC) was significantly higher among cases (38.7%) compared to controls (33.5%) ( haplotype-specific P = 0.009). Evaluation of the prostate cancer risk associated with carrying the 'ATGC' haplotype revealed that homozygous carriers were at significantly increased risk ( odds ratio (OR) = 1.6, 95% confidence interval (CI) = 1.2 - 2.2), compared to noncarriers, while no significant association was found among subjects heterozygous for the haplotype ( OR = 1.0, 95% CI = 0.8 - 1.2). Restricting analyses to advanced prostate cancer strengthened the association between the 'ATGC' haplotype and disease risk (OR for homozygous carriers vs noncarriers 1.8, 95% CI = 1.3 - 2.5). In conclusion, the results from this study support the hypothesis that inflammation has a role of in the development of prostate cancer, but further studies are needed to identify the causal variants in this region and to elucidate the biological mechanism for this association.
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3.
  • Guo, J.-H., et al. (författare)
  • Molecular structure of alcohol-water mixtures
  • 2003
  • Ingår i: Physical Review Letters. - 0031-9007 .- 1079-7114. ; 91:15
  • Tidskriftsartikel (refereegranskat)abstract
    • We use x-ray emission spectroscopy to elucidate the molecular structure of liquid methanol, water, and methanol-water solutions. We find that molecules in the pure liquid methanol predominantly persist as hydrogen-bonded chains and rings with six and/or eight molecules of equal abundance. For water-methanol solutions we find evidence of incomplete mixing at the microscopic level. Our results provide a new explanation for a smaller entropy increase in the solution due to water molecules bridging methanol chains to form rings.
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  • Guo, J. H., et al. (författare)
  • X-ray emission spectroscopy of hydrogen bonding and electronic structure of liquid water
  • 2002
  • Ingår i: Physical Review Letters. - 0031-9007 .- 1079-7114. ; 89:13
  • Tidskriftsartikel (refereegranskat)abstract
    • We use x-ray emission spectroscopy to examine the influence of the intermolecular interaction on the local electronic structure of liquid water. By comparing x-ray emission spectra of the water molecule and liquid water, we find a strong involvement of the a(1)-symmetry valence-orbital in the hydrogen bonding. The local electronic structure of water molecules, where one hydrogen bond is broken at the hydrogen site, is separately determined. Our results provide an illustration of the important potential of x-ray emission spectroscopy for elucidating basic features of liquids.
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  • Kashtanov, Stepan, et al. (författare)
  • Local structures of liquid water studied by x-ray emission spectroscopy
  • 2004
  • Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 69:2
  • Tidskriftsartikel (refereegranskat)abstract
    • The O Kalpha x-ray emission spectra of water clusters with different sizes and conformations embedded in a continuum medium are simulated. The calculations have successfully explained the experimental spectra of water in both gas and liquid phases. It is shown that the x-ray emission spectra are very sensitive to the local hydrogen bonding structures. Strong electron sharing between different water molecules is observed and its possible connection to the covalency of hydrogen bonding is discussed. The experimentally observed strong excitation energy dependence of the spectra has been interpreted in terms of the polarization and angular dependence for the gas phase, and in terms of variations of local hydrogen bonding structures for the liquid phase.
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  • Lindmark, F, et al. (författare)
  • H6D polymorphism in macrophage-inhibitory cytokine-1 gene associated with prostate cancer
  • 2004
  • Ingår i: Journal of the National Cancer Institute. - Umea Univ, Dept Radiat Sci Oncol, S-90187 Umea, Sweden. Karolinska Inst, Dept Med Epidemiol & Biostat, Stockholm, Sweden. Umea Univ Hosp, Dept Urol & Androl, S-90185 Umea, Sweden. Wake Forest Univ, Sch Med, Ctr Human Genomics, Winston Salem, NC 27109 USA. Johns Hopkins Med Inst, Dept Urol, Baltimore, MD 21205 USA. : OXFORD UNIV PRESS INC. - 0027-8874 .- 1460-2105. ; 96:16, s. 1248-1254
  • Tidskriftsartikel (refereegranskat)abstract
    • Background: Accumulating epidemiologic and molecular evidence suggest that inflammation is an important component in the etiology of prostate cancer. Macrophage-inhibitory cytokine-1 (MIC-1), a member of the transforming growth factor beta superfamily, is thought to play an important role in inflammation by regulating macrophage activity. We examined whether sequence variants in the MIC-1 gene are associated with the risk of prostate cancer. Methods: The study population, a population-based case-control study in Sweden, consisted of 1383 prostate cancer case patients and 780 control subjects. From 94 of the control subjects, we constructed gene-specific haplotypes of MIC-1 and identified four haplotype-tagging single-nucleotide polymorphisms (SNPs): Exon1+25 (V9L), Exon1+142 (S48T), IVS1+1809, and Exon2+2423 (H6D). All study subjects were genotyped for the four SNPs, and conditional logistic regression analysis was used to estimate odds ratios (ORs) with 95% confidence intervals (CIs). Results: A statistically significant difference (P = .006) in genotype frequency was observed for the nonsynonymous change H6D) (histidine to aspartic acid at position 6) between prostate cancer patients and control subjects. Carriers of the GC genotype, which results in the H6D change, experienced a lower risk of sporadic prostate cancer (OR = 0.80, 95% CI = 0.66 to 0.97) and of familial prostate cancer (OR = 0.61, 95% CI = 0.42 to 0.89) than the CC genotype carriers. In the study population, the proportion of prostate cancer cases attributable to the CC genotype was 7.2% for sporadic cancer and 19.2% for familial cancer. None of the other SNPs or haplotypes was associated with prostate cancer. Conclusion: This study shows an association between a nonsynonymous change (H6D) in the MIC-1 gene and prostate cancer. This finding supports the hypothesis that genetic variation in the inflammatory process contributes to prostate cancer susceptibility.
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  • Augustsson, A, et al. (författare)
  • The electronic structure and lithiation of electrodes based on vanadium-oxide nanotubes
  • 2003
  • Ingår i: Journal of Applied Physics. ; 94:8, s. 5083-5087
  • Tidskriftsartikel (refereegranskat)abstract
    • The synthesis of a novel ligand 2′-[1-(2-pyridinyl)-ethylidene]-oxamohydrazide (Hapsox), from a series of 2-acetylpyridine acylhydrazones, and its complex with Co(III), which is the first in this series of complexes are described. Both the ligand and the complex were characterized by elemental analysis, IR, 1H-NMR, and 13C-NMR spectra, and the structure of the complex [Co(apsox)2]ClO4 was determined by X-ray structural analysis. It was established that [Co(apsox)2]ClO4 has an octahedral geometry with two tridentate apsox ligands in monoanionic form. Structural characteristics, lengths of the bonds, and angles between the bonds were typical for Co(III) complexes of distorted octahedral geometry. Both direct and template synthesis afforded the same geometrical isomer of the complex with two apsox ligands meridionally bound to the central metal ion, even in the case when equimolar quantities of Co(ClO4)2 and Hapsox were applied.
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  • Brena, Barbara, et al. (författare)
  • Conformation dependence of electronic structures of poly(ethylene oxide)
  • 2005
  • Ingår i: Journal of Physical Chemistry B. - : American Chemical Society (ACS). - 1520-6106 .- 1520-5207. ; 109:16, s. 7907-7914
  • Tidskriftsartikel (refereegranskat)abstract
    • The electronic structure of pure poly(ethylene oxide) (PEO) for four different polymeric chain conformations has been studied by Hartree-Fock (HF) and density functional theory (DFT) through the analysis of their valence band photoelectron spectroscopy (VB-PES), X-ray emission spectroscopy (XES), and resonant inelastic X-ray scattering (RIXS). It is shown that the valence band of PEO presents specific conformation dependence, which can be used as a fingerprint of the polymeric structures. The calculated spectra have been compared with experimental results for PEO powder.
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16.
  • Dong, C. L., et al. (författare)
  • Electronic structure and surface structure of Cu2S nanorods from polarization dependent X-ray absorption spectroscopy
  • 2006
  • Ingår i: Journal of Electron Spectroscopy and Related Phenomena. - : Elsevier BV. - 0368-2048 .- 1873-2526. ; 151:1, s. 64-70
  • Tidskriftsartikel (refereegranskat)abstract
    • Highly aligned CuS nanorods have been studied by polarization dependent X-ray absorption spectroscopy. In contrast to bulk Cu2S, strong s, p, and d hybridization is found in the nanorods. The polarization dependence shows a predominant d(z2) character of Cu 3d states. Ab initio multiple-scattering calculations confirm the strong hybridization, and reveal that CuS nanorods are grown along the z-axis of chalcocite structure with Cu-7 and Cu-10 sites being the main building blocks. The hybridized absorption peak in the nanorods is shifted towards lower energies for smaller diameter of nanorods, which is attributed to surface reconstruction due to strong Cu-Cu interactions on the Cu-rich surface of the nanorods.
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  • Liu, H J, et al. (författare)
  • Electronic structure of cobalt nanocrystals suspended in liquid
  • 2007
  • Ingår i: Nano letters (Print). - : American Chemical Society (ACS). - 1530-6984 .- 1530-6992. ; 7:7, s. 1919-1922
  • Tidskriftsartikel (refereegranskat)abstract
    • The electronic structure of cobalt nanocrystals suspended in liquid as a function of size has been investigated using in situ X-ray absorptionand emission spectroscopy. A sharp absorption peak associated with the ligand molecules is found that increases in intensity upon reducingthe nanocrystal size. X-ray Raman features due to d−d and to charge-transfer excitations of ligand molecules are identified. The study revealsthe local symmetry of the surface of E-Co phase nanocrystals, which originates from a dynamic interaction between Co nanocrystals andsurfactant + solvent molecules.
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  • Persson, Clas, et al. (författare)
  • X-ray absorption and emission spectroscopy of ZnO nanoparticle and highly oriented ZnO microrod arrays
  • 2006
  • Ingår i: Microelectronics Journal. - : Elsevier BV. - 0026-2692. ; 37:8, s. 686-689
  • Tidskriftsartikel (refereegranskat)abstract
    • The electronic structures of ZnO nanoparticles and microrod arrays are studied by 0 Is X-ray absorption spectroscopy (XAS) and O K alpha X-ray emission spectroscopy (XES). We show that the present LDA +U-SIC calculation approach is suitable to correct the LDA self-interaction error of the cation d-states. The atomic eigenstates of 3d in zinc and 2p in oxygen are energetically close, which induces strong Zn-3d-O-2p hybridization. This anomalous valence band cation-d-anion-p hybridization is affected when the localization of the Zn 3d-states is taken into account. Experimentally, the XES spectra show energy dependence in the spectral shape revealing selected excitations to the Zn 3d, 4s and 4p states, hybridized with 0 2p states. Strong anisotropic effects are observed for the highly oriented ZnO rods, but not for the isotropic spherical nanoparticles. The nanostructured ZnO has primarily bulk XAS and XES properties.
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  • Schmitt, T, et al. (författare)
  • Resonant soft X-ray emission spectroscopy of doped and undoped vanadium oxides
  • 2004
  • Ingår i: Journal of Alloys and Compounds. - 0925-8388 .- 1873-4669. ; 362:1-2, s. 143-150
  • Tidskriftsartikel (refereegranskat)abstract
    • Resonant soft X-ray emission (RSXE) spectra of NaV2O5, MoxV1-xO2 and V2O3 have been recorded for a series of excitation energies at resonances of the V L- and O K-absorption band. Resonant excitation allows us, firstly, to separate V 3d and O 2p projected density-of-states of the valence band and, secondly, to study charge-neutral low-energy excitations due to resonant inelastic X-ray scattering (RIXS). We found that both the V L- and the O K-emission spectra clearly show components originating from O 2p- and V 3d-states, reflecting the high degree of hybridization of the valence band in all compounds. At threshold excitation we observed that NaV2O5 spectra are dominated by RIXS whereas MoxV1-xO2 and V2O3 spectra show bandlike features, which may be due to differences in the correlation effects of the compounds. We compared the RSXE spectra with cluster model calculations, which gives a good account for NaV2O5 whereas the RSXE spectra of the other compounds show RIXS only at certain energies well above the threshold. In fact, we interpret the trend in the RSXE spectra of the MoxV1-xO2 compound system as a successive filling of the (rigid) V 3d band with increasing Mo content. (C) 2003 Elsevier B.V. All rights reserved.
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23.
  • Shin, D. W., et al. (författare)
  • Size dependence of the electronic structure of copper nanoclusters in SiC matrix
  • 2006
  • Ingår i: Chemical Physics Letters. - : Elsevier BV. - 0009-2614 .- 1873-4448. ; 422:4-6, s. 543-546
  • Tidskriftsartikel (refereegranskat)abstract
    • We studied the size dependence of the electronic structure of nanocrystalline copper embedded in silicon carbide by means of soft Xray absorption spectroscopy. Changes in the local electronic states of copper nanoclusters, including the shift in binding energy and the reduction of s-p-d hybridization, occurred. The experimental result was compared with the ab initio self-consistent, real-space, multiple-scattering calculation. The calculation was in good agreement with the trend found in our experimental results. We concluded that the reduction of d-d interaction and the concomitant changes in s-p-d hybridization in copper nanoclusters arise due to the surface effect.
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  • Augustsson, Andreas, et al. (författare)
  • Solid electrolyte interphase on graphite Li-ion battery anodes studied by soft X-ray spectroscopy
  • 2004
  • Ingår i: Phys. Chem. Chem. Phys. ; 6, s. 4185-4189
  • Tidskriftsartikel (refereegranskat)abstract
    • We have measured X-ray absorption and emission near the C Is edge of graphite electrodes cycled in lithium-ion battery cells. Resonantly excited emission spectra of graphite electrodes exhibit features characteristic of both highly oriented pyrolytic graphite as well as polycrystalline graphite. Spectra of three electrodes cycled in two different electrolytes are presented and compared with spectra of the pristine electrode. A solid electrolyte interphase(SEI) was detected on the electrochemically cycled electrodes. By the use of selective excitation, resonant X-ray emission spectra of the SEI-species were obtained and compared to spectra of reference compounds. The SEI on the cycled graphite anode was shown to comprise lithium oxalate (Li2C2O4), lithium succinate (LiO2CCH2CH2CO2Li) and lithium methoxide (LiOCH3).
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  • Augustsson, J, et al. (författare)
  • Patients with rheumatoid arthritis treated with tumour necrosis factor antagonists increase their participation in the workforce: potential for significant long-term indirect cost gains (data from a population-based registry)
  • 2010
  • Ingår i: Annals of the rheumatic diseases. - : BMJ. - 1468-2060 .- 0003-4967. ; 69:1, s. 126-131
  • Tidskriftsartikel (refereegranskat)abstract
    • To investigate the effect of tumour necrosis factor (TNF) antagonist treatment on workforce participation in patients with rheumatoid arthritis (RA).Methods:Data from the Stockholm anti-TNFα follow-up registry (STURE) were used in this observational study. Patients with RA (n = 594) aged 18–55 years, (mean (SD) 40 (9) years) followed for up to 5 years were included with hours worked/week as the main outcome measure. Analyses were performed unadjusted and adjusted for baseline age, disease duration, Health Assessment Questionnaire (HAQ), 28-joint Disease Activity Score (DAS28) and pain score.Results:At baseline patients worked a mean 20 h/week (SD 18). In unadjusted analyses, significant improvements in hours worked/week could already be observed in patients at 6 months (mean, 95% CI) +2.4 h (1.3 to 3.5), with further increases compared to baseline at 1-year (+4.0 h, 2.4 to 5.6) and 2-year follow-up (+6.3 h, 4.2 to 8.4). The trajectory appeared to stabilise at the 3-year (+6.3 h, 3.6 to 8.9), 4-year (+5.3 h, 2.3 to 8.4) and 5-year follow-up (+6.6 h, 3.3 to 10.0). In a mixed piecewise linear regression model, adjusted for age, sex, baseline disease activity, function and pain, an improvement of +4.2 h/week was estimated for the first year followed by an added improvement of +0.5 h/week annually during the years thereafter. Over 5 years of treatment, the expected indirect cost gain corresponded to 40% of the annual anti-TNF drug cost in patients continuing treatment.Conclusion:Data from this population-based registry indicate that biological therapy is associated with increases in workforce participation in a group typically expected to experience progressively deteriorating ability to work. This could result in significant indirect cost benefits to society.
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  • Augustsson, Katarina, et al. (författare)
  • A population-based dietary inventory of cooked meat and assessment of the daily intake of food mutagens
  • 1999
  • Ingår i: Food Additives and Contaminants. - : Informa UK Limited. - 0265-203X .- 1464-5122. ; 16:5, s. 215-225
  • Tidskriftsartikel (refereegranskat)abstract
    • Frequent consumption of meat has been associated with an increased risk of colorectal cancer. Such a risk may be due to naturally occurring compounds in the meat, substances added to the meat, or agents formed during cooking. Concerning the latter alternative, mutagenic heterocyclic amines are multi-site animal carcinogens, but their relevance to human cancer has yet to be determined. In the present study, we made a population-based inventory of cooked meat dishes consumed in the county of Stockholm, ranked dishes according to cooking method and frequency of consumption and, in addition, determined levels of mutagenic activity in six commonly consumed fried meat dishes. Meat was consumed, on average, 493 times per year, giving 1.4 daily servings. Frying was the most common way to cook meat. When ranking meat dishes according to intake frequency, the top eight dishes were as follows. sausage, steak casserole, meatballs, pork chops, pork belly, bacon, ground beef patties, and, finally, mincemeat sauce. The frying sessions were pel;formed under controlled conditions at four different temperatures, and we documented the degree of surface browning and measured mutagenic activity in six frequently eaten dishes (sausage, meatballs, pork chops, pork belly, ground beef patties, and minute beef). We found extracts from all six dishes to be mutagenic, and a mean daily dose of exposure was calculated, giving 862 revertants. This investigation leaves no doubt that a major portion of the total meat consumption is fried before ingestion and that fried meat dishes frequently consumed by an elderly population in Stockholm contain mutagenic substances. Furthermore, the study provides usable information for future epidemiological research in which it is necessary to disentangle the effect of meat per se from the effect of potentially carcinogenic heterocyclic amines.
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  • Augustsson, Katarina, et al. (författare)
  • A prospective study of intake of fish and marine fatty acids and prostate cancer
  • 2003
  • Ingår i: Cancer Epidemiology, Biomarkers and Prevention. - 1055-9965 .- 1538-7755. ; 12:1, s. 64-67
  • Tidskriftsartikel (refereegranskat)abstract
    • Experimental studies suggest that marine fatty acids have an antitumor effect on prostate tumor cells. The aim of this study was to investigate whether high consumption of fish and marine fatty acids reduces the risk of prostate cancer in humans. We followed 47,882 men participating in the Health Professionals Follow-up Study. Dietary intake was assessed in 1986, 1990, and 1994, using a validated food frequency questionnaire. During 12 years of follow-up, 2,482 cases of prostate cancer were diagnosed, of which 617 were diagnosed as advanced prostate cancer including 278 metastatic prostate cancers. Eating fish more than three times per week was associated with a reduced risk of prostate cancer, and the strongest association was for metastatic cancer (multivariate relative risk, 0.56; 95% confidence interval, 0.37-0.86, compared with infrequent consumption, i.e., less than twice per month). Intake of marine fatty acids from food showed a similar but weaker association. Each additional daily intake of 0.5 g of marine fatty acid from food was associated with a 24% decreased risk of metastatic cancer. We found that men with high consumption of fish had a lower risk of prostate cancer, especially for metastatic cancer. Marine fatty acids may account for part of the effect, but other factors in fish may also play a role.
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  • Augustsson, P., et al. (författare)
  • Iso-acoustic focusing for size-insensitive cell separation based on acoustic properties
  • 2015
  • Ingår i: MicroTAS 2015 - 19th International Conference on Miniaturized Systems for Chemistry and Life Sciences. - 9780979806483 ; , s. 14-16
  • Konferensbidrag (refereegranskat)abstract
    • We report a novel size-insensitive method, iso-acoustic focusing (IAF), that can, for the first time, analyze and separate cells based on their intrinsic acoustic properties. We characterize the IAF system using two different cell lines and apply it to measuring the acoustic impedance of two subgroups of white blood cells (WBC): neutrophils and lymphocytes. We find cell type specific differences in acoustic properties that indicates that this method has potential for cell phenotyping and cell separations.
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  • Barrett, J H, et al. (författare)
  • Investigation of interaction between N-acetyltransferase 2 and heterocyclic amines as potential risk factors for colorectal cancer
  • 2003
  • Ingår i: Carcinogenesis. - : Oxford University Press (OUP). - 0143-3334 .- 1460-2180. ; 24:2, s. 275-282
  • Tidskriftsartikel (refereegranskat)abstract
    • Fast N-acetyltransferase 2 (NAT2) acetylators may be at increased risk of colorectal cancer through the activation of carcinogenic heterocyclic amines (HA), which are produced by meat cooked at high temperatures and are found in cigarette smoke. A study of 500 incident colorectal cancer cases and population controls, matched for age, sex and general practitioner, was conducted in the UK to investigate this hypothesis. Usual meat intake and lifetime smoking habits were estimated using a detailed questionnaire administered by interview. Subjects also indicated how well cooked they ate their meat. Subjects were classified as fast or slow NAT2 acetylators on the basis of NAT2 genotype. Complete genotype data were available on 433 matched pairs. The risk of colorectal cancer showed a steady increase with meat intake, rising to an odds ratio of 1.51 [95% confidence interval (1.03, 2.23)] for the highest versus the lowest quartile, after adjustment for total energy intake, and this was even more pronounced for red meat [odds ratio 1.97 (1.30, 2.98)]. However, this effect was not influenced by the preference for well-done meat. Smoking was also associated with an increased risk [odds ratio 1.47 (1.10, 1.98) for ever- versus never-smokers]. In both cases and controls similar to40% of subjects were classified as fast acetylators, and the risks associated with (red) meat intake and smoking did not vary with NAT2 status. This study provides no support for the hypothesis that fast NAT2 acetylators are at increased risk of colorectal cancer, even if exposed to high levels of HA from well-cooked meat or smoking.
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41.
  • Dong, C. L., et al. (författare)
  • Electronic structure of nanostructured ZnO from x-ray absorption and emission spectroscopy and the local density approximation
  • 2004
  • Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 70:19
  • Tidskriftsartikel (refereegranskat)abstract
    • O 1s absorption spectroscopy (XAS) and O Kalpha emission spectroscopy (XES) were performed to study the electronic structure of nanostructured ZnO. The band gap is determined by the combined absorption-emission spectrum. Resonantly excited XES spectra showing an energy dependence in the spectral shape reveal the selected excitations to the different Zn 3d, 4s, and 4p states in hybridization with O 2p states. The partial density of state obtained from local density approximation (LDA) and LDA+U calculations are compared with the experimental results. The LDA+U approach is suitable to correct LDA self-interaction error of the cation d states. The atomic eigenstates of 3d in zinc and 2p in oxygen are energetically close, which induces the strong interaction between Zn 3d and O 2p states. This anomalous valence band cation-d-anion-p hybridization is verified by taking into account the strong localization of the Zn 3d states.
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  • Freelon, B., et al. (författare)
  • Low energy electronic spectroscopy of an infinite-layer cuprate : A resonant inelastic X-ray scattering study of CaCuO2
  • 2010
  • Ingår i: Physica. C, Superconductivity. - : Elsevier BV. - 0921-4534 .- 1873-2143. ; 470:3, s. 187-192
  • Tidskriftsartikel (refereegranskat)abstract
    • We report the results of Oxygen K-edge soft X-ray absorption and emission spectroscopy that was performed on an infinite-layer insulating cuprate thin film CaCuO2 Experimentally obtained spectra arc consistent with local density approximation calculations X-ray absorption spectra show a close resemblance to spectra obtained from homologous single crystal cuprates In addition to d-d excitations. X-ray emission spectra reveal the presence of Zhang-Rice singlet states in the infinite-layer CuO2 planes The question of whether the Zhang-Rice singlet features are masked by the O 2p main-band is addressed. it is possible to quantify the position of the Zhang-Rice singlet using emission intensity profiles X-ray emission is demonstrated as a tool for understanding CuO2 planar electronic correlation in the prototypical infinite-layer The energy difference, 2 0 eV, between the oxygen main-band and the Zhang-Rice singlet band is found to match values obtained theoretically using established planar electronic correlation parameters.
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46.
  • Guo, J. H., et al. (författare)
  • The molecular structure of alcohol-water mixtures determined by soft-X-ray absorption and emission spectroscopy
  • 2004
  • Ingår i: Journal of Electron Spectroscopy and Related Phenomena. - : Elsevier BV. - 0368-2048 .- 1873-2526. ; 137-40:SI, s. 425-428
  • Tidskriftsartikel (refereegranskat)abstract
    • We have examined the influence of the intermolecular interaction on the local electronic structure by using X-ray absorption and emission spectra of liquid methanol, water, and their mixtures (in molar ratios of 9:1 and 7:3). We find a strong involvement of hydrogen bonding in the mixing of water and methanol molecules. The local electronic structure of water and methanol clusters, where water cluster is bridging within a 6-member open-ring structured methanol cluster, is separately determined. The experimental findings suggest an incomplete mixing of water-alcohol systems and a strong self- association between methanol chain and water cluster through hydrogen bonding. The enhancement of joint water-methanol open-ring structure owes the explanation to the loss of entropy of the aqueous solutions.
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  • Ingvarsson, Sara, et al. (författare)
  • Strategies for de-implementation of low-value care—a scoping review
  • 2022
  • Ingår i: Implementation Science. - : BioMed Central Ltd. - 1748-5908. ; 17:1
  • Tidskriftsartikel (refereegranskat)abstract
    • Background: The use of low-value care (LVC) is a persistent problem that calls for knowledge about strategies for de-implementation. However, studies are dispersed across many clinical fields, and there is no overview of strategies that can be used to support the de-implementation of LVC. The extent to which strategies used for implementation are also used in de-implementing LVC is unknown. The aim of this scoping review is to (1) identify strategies for the de-implementation of LVC described in the scientific literature and (2) compare de-implementation strategies to implementation strategies as specified in the Expert Recommendation for Implementing Change (ERIC) and strategies added by Perry et al. Method: A scoping review was conducted according to recommendations outlined by Arksey and O’Malley. Four scientific databases were searched, relevant articles were snowball searched, and the journal Implementation Science was searched manually for peer-reviewed journal articles in English. Articles were included if they were empirical studies of strategies designed to reduce the use of LVC. Two reviewers conducted all abstract and full-text reviews, and conflicting decisions were discussed until consensus was reached. Data were charted using a piloted data-charting form. The strategies were first coded inductively and then mapped onto the ERIC compilation of implementation strategies. Results: The scoping review identified a total of 71 unique de-implementation strategies described in the literature. Of these, 62 strategies could be mapped onto ERIC strategies, and four strategies onto one added category. Half (50%) of the 73 ERIC implementation strategies were used for de-implementation purposes. Five identified de-implementation strategies could not be mapped onto any of the existing strategies in ERIC. Conclusions: Similar strategies are used for de-implementation and implementation. However, only a half of the implementation strategies included in the ERIC compilation were represented in the de-implementation studies, which may imply that some strategies are being underused or that they are not applicable for de-implementation purposes. The strategies assess and redesign workflow (a strategy previously suggested to be added to ERIC), accountability tool, and communication tool (unique new strategies for de-implementation) could complement the existing ERIC compilation when used for de-implementation purposes.
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