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1.
  • Damgaard, P. D., et al. (författare)
  • 137 ancient human genomes from across the Eurasian steppes
  • 2018
  • Ingår i: Nature. - : Springer Science and Business Media LLC. - 0028-0836 .- 1476-4687. ; 557:7705, s. 369-374
  • Tidskriftsartikel (refereegranskat)abstract
    • For thousands of years the Eurasian steppes have been a centre of human migrations and cultural change. Here we sequence the genomes of 137 ancient humans (about 1x average coverage), covering a period of 4,000 years, to understand the population history of the Eurasian steppes after the Bronze Age migrations. We find that the genetics of the Scythian groups that dominated the Eurasian steppes throughout the Iron Age were highly structured, with diverse origins comprising Late Bronze Age herders, European farmers and southern Siberian hunter-gatherers. Later, Scythians admixed with the eastern steppe nomads who formed the Xiongnu confederations, and moved westward in about the second or third century bc, forming the Hun traditions in the fourthfifth century ad, and carrying with them plague that was basal to the Justinian plague. These nomads were further admixed with East Asian groups during several short-term khanates in the Medieval period. These historical events transformed the Eurasian steppes from being inhabited by Indo-European speakers of largely West Eurasian ancestry to the mostly Turkic-speaking groups of the present day, who are primarily of East Asian ancestry.
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2.
  • Al Kharusi, S., et al. (författare)
  • SNEWS 2.0 : a next-generation supernova early warning system for multi-messenger astronomy
  • 2021
  • Ingår i: New Journal of Physics. - : IOP Publishing. - 1367-2630. ; 23:3
  • Forskningsöversikt (refereegranskat)abstract
    • The next core-collapse supernova in the Milky Way or its satellites will represent a once-in-a-generation opportunity to obtain detailed information about the explosion of a star and provide significant scientific insight for a variety of fields because of the extreme conditions found within. Supernovae in our galaxy are not only rare on a human timescale but also happen at unscheduled times, so it is crucial to be ready and use all available instruments to capture all possible information from the event. The first indication of a potential stellar explosion will be the arrival of a bright burst of neutrinos. Its observation by multiple detectors worldwide can provide an early warning for the subsequent electromagnetic fireworks, as well as signal to other detectors with significant backgrounds so they can store their recent data. The supernova early warning system (SNEWS) has been operating as a simple coincidence between neutrino experiments in automated mode since 2005. In the current era of multi-messenger astronomy there are new opportunities for SNEWS to optimize sensitivity to science from the next galactic supernova beyond the simple early alert. This document is the product of a workshop in June 2019 towards design of SNEWS 2.0, an upgraded SNEWS with enhanced capabilities exploiting the unique advantages of prompt neutrino detection to maximize the science gained from such a valuable event.
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3.
  • Damgaard, P. D., et al. (författare)
  • The first horse herders and the impact of early Bronze Age steppe expansions into Asia
  • 2018
  • Ingår i: Science. - : American Association for the Advancement of Science (AAAS). - 0036-8075 .- 1095-9203. ; 360:6396
  • Tidskriftsartikel (refereegranskat)abstract
    • The Yamnaya expansions from the western steppe into Europe and Asia during the Early Bronze Age (similar to 3000 BCE) are believed to have brought with them Indo-European languages and possibly horse husbandry. We analyzed 74 ancient whole-genome sequences from across Inner Asia and Anatolia and show that the Botai people associated with the earliest horse husbandry derived from a hunter-gatherer population deeply diverged from the Yamnaya. Our results also suggest distinct migrations bringing West Eurasian ancestry into South Asia before and after, but not at the time of, Yamnaya culture. We find no evidence of steppe ancestry in Bronze Age Anatolia from when Indo-European languages are attested there. Thus, in contrast to Europe, Early Bronze Age Yamnaya-related migrations had limited direct genetic impact in Asia.
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4.
  • Sikora, M., et al. (författare)
  • The population history of northeastern Siberia since the Pleistocene
  • 2019
  • Ingår i: Nature. - : Springer Science and Business Media LLC. - 0028-0836 .- 1476-4687. ; 570:7760
  • Tidskriftsartikel (refereegranskat)abstract
    • Northeastern Siberia has been inhabited by humans for more than 40,000 years but its deep population history remains poorly understood. Here we investigate the late Pleistocene population history of northeastern Siberia through analyses of 34 newly recovered ancient genomes that date to between 31,000 and 600 years ago. We document complex population dynamics during this period, including at least three major migration events: an initial peopling by a previously unknown Palaeolithic population of 'Ancient North Siberians' who are distantly related to early West Eurasian hunter-gatherers; the arrival of East Asian-related peoples, which gave rise to 'Ancient Palaeo-Siberians' who are closely related to contemporary communities from far-northeastern Siberia (such as the Koryaks), as well as Native Americans; and a Holocene migration of other East Asian-related peoples, who we name 'Neo-Siberians', and from whom many contemporary Siberians are descended. Each of these population expansions largely replaced the earlier inhabitants, and ultimately generated the mosaic genetic make-up of contemporary peoples who inhabit a vast area across northern Eurasia and the Americas.
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5.
  • Allentoft, M. E., et al. (författare)
  • Population genomics of Bronze Age Eurasia
  • 2015
  • Ingår i: Nature. - : Springer Science and Business Media LLC. - 0028-0836 .- 1476-4687. ; 522:7555
  • Tidskriftsartikel (refereegranskat)abstract
    • The Bronze Age of Eurasia (around 3000-1000 BC) was a period of major cultural changes. However, there is debate about whether these changes resulted from the circulation of ideas or from human migrations, potentially also facilitating the spread of languages and certain phenotypic traits. We investigated this by using new, improved methods to sequence low-coverage genomes from 101 ancient humans from across Eurasia. We show that the Bronze Age was a highly dynamic period involving large-scale population migrations and replacements, responsible for shaping major parts of present-day demographic structure in both Europe and Asia. Our findings are consistent with the hypothesized spread of Indo-European languages during the Early Bronze Age. We also demonstrate that light skin pigmentation in Europeans was already present at high frequency in the Bronze Age, but not lactose tolerance, indicating a more recent onset of positive selection on lactose tolerance than previously thought.
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7.
  • Isaguliants, M, et al. (författare)
  • Prevalence and Risk Factors of Infection with High Risk Human Papilloma Viruses among HIV-Positive Women with Clinical Manifestations of Tuberculosis in a Middle-Income Country
  • 2021
  • Ingår i: Biomedicines. - : MDPI AG. - 2227-9059. ; 9:6
  • Tidskriftsartikel (refereegranskat)abstract
    • Women living with HIV-1 are at high risk of infection with human papillomavirus of high carcinogenic risk (HR HPVs). M. tuberculosis (TB) promotes HPV infection and increases the risk to develop HPV-associated cancer. Our knowledge of persisting HR HPVs genotypes, and of the factors promoting HR HPV infection in people living with HIV-1 with clinical TB manifestations is sparse. Here, we analyzed 58 women living with HIV-1 with clinical TB manifestations (WLWH with TB) followed up in specialized centers in Russia, a middle income country endemic for HIV-1 and TB, for the presence in cervical smears of DNA of twelve HR HPV genotypes. DNA encoding HPV16 E5, E6/E7 was sequenced. Sociodemographic data of patients was collected by questionnaire. All women were at C2-C3 stages of HIV-infection (by CDC). The majority were over 30 years old, had secondary education, were unemployed, had sexual partners, experienced 2–3 pregnancies and at least one abortion, and were smokers. The most prevalent was HPV16 detected in the cervical smears of 38% of study participants. Altogether 34.5% of study participants were positive for HR HPV types other than HPV16; however, but none of these types was seen in more than 7% of tested samples. Altogether, 20.7% of study participants were positive for several HR HPV types. Infections with HPVs other than HPV16 were common among WLWH with generalized TB receiving combined ART/TB-therapy, and associated with their ability to work, indirectly reflecting both their health and lifestyle. The overall prevalence of HR HPVs was associated with sexual activity of women reflected by the number of pregnancies, and of HPV 16, with young age; none was associated to CD4+-counts, route of HIV-infection, duration of life with HIV, forms of TB-infection, or duration of ART, characterizing the immune status. Thus, WLWH with TB—especially young—were predisposed to infection with HPV16, advancing it as a basis for a therapeutic HPV vaccine. Phylogenetic analysis of HPV16 E5, E6/E7 DNA revealed no common ancestry; sequences were similar to those of the European and American HPV16 strains, indicating that HPV vaccine for WLWH could be the same as HPV16 vaccines developed for the general population. Sociodemographic and health correlates of HR HPV prevalence in WLWH deserve further analysis to develop criteria/recommendations for prophylactic catch-up and therapeutic HPV vaccination of this highly susceptible and vulnerable population group.
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9.
  • Allentoft, Morten E., et al. (författare)
  • Population genomics of post-glacial western Eurasia
  • 2024
  • Ingår i: Nature. - 0028-0836 .- 1476-4687. ; 625:7994, s. 301-311
  • Tidskriftsartikel (refereegranskat)abstract
    • Western Eurasia witnessed several large-scale human migrations during the Holocene1–5. Here, to investigate the cross-continental effects of these migrations, we shotgun-sequenced 317 genomes—mainly from the Mesolithic and Neolithic periods—from across northern and western Eurasia. These were imputed alongside published data to obtain diploid genotypes from more than 1,600 ancient humans. Our analyses revealed a ‘great divide’ genomic boundary extending from the Black Sea to the Baltic. Mesolithic hunter-gatherers were highly genetically differentiated east and west of this zone, and the effect of the neolithization was equally disparate. Large-scale ancestry shifts occurred in the west as farming was introduced, including near-total replacement of hunter-gatherers in many areas, whereas no substantial ancestry shifts happened east of the zone during the same period. Similarly, relatedness decreased in the west from the Neolithic transition onwards, whereas, east of the Urals, relatedness remained high until around 4,000 bp, consistent with the persistence of localized groups of hunter-gatherers. The boundary dissolved when Yamnaya-related ancestry spread across western Eurasia around 5,000 bp, resulting in a second major turnover that reached most parts of Europe within a 1,000-year span. The genetic origin and fate of the Yamnaya have remained elusive, but we show that hunter-gatherers from the Middle Don region contributed ancestry to them. Yamnaya groups later admixed with individuals associated with the Globular Amphora culture before expanding into Europe. Similar turnovers occurred in western Siberia, where we report new genomic data from a ‘Neolithic steppe’ cline spanning the Siberian forest steppe to Lake Baikal. These prehistoric migrations had profound and lasting effects on the genetic diversity of Eurasian populations.
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10.
  • Beisert, Niklas, et al. (författare)
  • Review of AdS/CFT Integrability : An Overview
  • 2012
  • Ingår i: Letters in Mathematical Physics. - : Springer Science and Business Media LLC. - 0377-9017 .- 1573-0530. ; 99:1-3, s. 3-32
  • Forskningsöversikt (refereegranskat)abstract
    • This is the introductory chapter of a review collection on integrability in the context of the AdS/CFT correspondence. In the collection we present an overview of the achievements and the status of this subject as of the year 2010.
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11.
  • Gromov, S P, et al. (författare)
  • Self-assembly of a (benzothiazolyl)ethenylbenzocrown ether into a sandwich complex and stereoselective [2+2] photocycloaddition
  • 2005
  • Ingår i: RUSSIAN CHEMICAL BULLETIN. - : Springer Science and Business Media LLC. - 1066-5285 .- 1573-9171. ; 54:7, s. 1569-79
  • Tidskriftsartikel (refereegranskat)abstract
    • In the presence of Ba2+ ions, (benzothiazolyl)ethenylbenzocrown ether forms the stable sandwich complex 2L center dot Ba2+ with an unusual structure, in which the benzothiazole fragments are arranged one above the other. Irradiation of the sandwich complex with visible light induces stereoselective [2+2] cycloaddition giving rise to two "head-to-head" isomers of biscrown-cyclobutane. The addition of dibasic dicarboxylic acids that additionally stabilize the sandwich complex in a favorable conformation affects the isomer ratio of the cyclobutanes formed. The conformational equilibria for the sandwich complex and cyclobutanes were studied by H-1 N MR spectroscopy.
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12.
  • Gustafsson, Oscar, et al. (författare)
  • Long-wavelength infrared quantum-dot based interband photodetectors
  • 2011
  • Ingår i: Infrared physics & technology. - : Elsevier BV. - 1350-4495 .- 1879-0275. ; 54:3, s. 287-291
  • Tidskriftsartikel (refereegranskat)abstract
    • We report on the design and fabrication of (Al)GaAs(Sb)/InAs tensile strained quantum-dot (QD) based detector material for thermal infrared imaging applications in the long-wavelength infrared (LWIR) regime. The detection is based on transitions between confined dot states and continuum states in a type-II band lineup, and we therefore refer to it as a dot-to-bulk (D2B) infrared photodetector with expected benefits including long carrier lifetime due to the type-II band alignment, suppressed Shockley-Read-Hall generation-recombination due to the relatively large-bandgap matrix material, inhibited Auger recombination processes due to the tensile strain and epitaxial simplicity. Metal-organic vapor-phase epitaxy was used to grow multiple (Al)GaAs(Sb) QD layers on InAs substrates at different QD nominal thicknesses, compositions, doping conditions and multilayer periods, and the material was characterized using atomic force and transmission electron microscopy, and Fourier-transform infrared absorption spectroscopy. Dot densities up to 1 x 10(11) cm(-2), 1 x 10(12) cm(-2) and 3 x 10(10) cm(-2) were measured for GaAs, AlGaAs and GaAsSb QDs, respectively. Strong absorption in GaAs, AlGaAs and GaAsSb multilayer QD samples was observed in the wavelength range 6-12 mu m. From the wavelength shift in the spectral absorption for samples with varying QD thickness and composition it is believed that the absorption is due to an intra- valance band transition. From this it is possible to estimate the type-II inter-band transition wavelength, thereby suggesting that (Al)GaAs(Sb) QD/InAs heterostructures are suitable candidates for LWIR detection and imaging.
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14.
  • Patanen, M., et al. (författare)
  • Valence shell photoelectron angular distributions and vibrationally resolved spectra of imidazole : A combined experimental-theoretical study
  • 2021
  • Ingår i: Journal of Chemical Physics. - : American Institute of Physics (AIP). - 0021-9606 .- 1089-7690. ; 155:5
  • Tidskriftsartikel (refereegranskat)abstract
    • Linearly polarized synchrotron radiation has been used to record polarization dependent valence shell photoelectron spectra of imidazole in the photon energy range 21–100 eV. These have allowed the photoelectron angular distributions, as characterized by the anisotropy parameter β, and the electronic state intensity branching ratios to be determined. Complementing these experimental data, theoretical photoionization partial cross sections and β-parameters have been calculated for the outer valence shell orbitals. The assignment of the structure appearing in the experimental photoelectron spectra has been guided by vertical ionization energies and spectral intensities calculated by various theoretical methods that incorporate electron correlation and orbital relaxation. Strong orbital relaxation effects have been found for the 15a′, nitrogen lone-pair orbital. The calculations also predict that configuration mixing leads to the formation of several low-lying satellite states. The vibrational structure associated with ionization out of a particular orbital has been simulated within the Franck–Condon model using harmonic vibrational modes. The adiabatic approximation appears to be valid for the X 2A″ state, with the β-parameter for this state being independent of the level of vibrational excitation. However, for all the other outer valence ionic states, a disparity occurs between the observed and the simulated vibrational structure, and the measured β-parameters are at variance with the behavior expected at the level of the Franck–Condon approximation. These inconsistencies suggest that the excited electronic states may be interacting vibronically such that the nuclear dynamics occur over coupled potential energy surfaces.
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15.
  • Gromov, K., et al. (författare)
  • Varying but reduced use of postoperative mobilization restrictions after primary total hip arthroplasty in Nordic countries: a questionnaire-based study
  • 2019
  • Ingår i: Acta Orthopaedica. - : Medical Journals Sweden AB. - 1745-3674 .- 1745-3682. ; 90:2, s. 143-147
  • Tidskriftsartikel (refereegranskat)abstract
    • Background and purpose Mobilization has traditionally been restricted following total hip arthroplasty (THA) in an attempt to reduce the risk of dislocation and muscle detachment. However, recent studies have questioned the effect and rationale underlying such restrictions. We investigated the use of postoperative restrictions and possible differences in mobilization protocols following primary THA in Denmark (DK), Finland (FIN), Norway (NO), and Sweden (SWE).Patients and methods All hospitals performing primary THA in the participating countries were identified from the latest national THA registry report. A questionnaire containing questions regarding standard surgical procedure, use of restrictions, and postoperative mobilization protocol was distributed to all hospitals through national representatives for each arthroplasty registry.Results 83% to 94% (n = 167) of the 199 hospitals performing THA in DK, FIN, NO, and SWE returned correctly filled out questionnaires. A posterolateral approach was used by 77% of the hospitals. 92% of the hospitals had a standardized mobilization protocol. 50%, 41%, 19%, and 38% of the hospitals in DK, FIN, NO, and SWE, respectively, did not have any postoperative restrictions. If utilized, restrictions were applied for a median of 6 weeks. Two-thirds of all hospitals have changed their mobilization protocol within the last 5 yearsall but 2 to a less restrictive protocol.Interpretation Use of postoperative restrictions following primary THA differs between the Nordic countries, with 19% to 50% allowing mobilization without any restrictions. There has been a strong tendency towards less restrictive mobilization over the last 5 years.
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16.
  • Holland, D. M. P., et al. (författare)
  • An experimental and theoretical study of the valence shell photoelectron spectra of 2-chloropyridine and 3-chloropyridine
  • 2017
  • Ingår i: Journal of Chemical Physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 147:16
  • Tidskriftsartikel (refereegranskat)abstract
    • The valence shell photoelectron spectra of 2-chloropyridine and 3-chloropyridine have been studied both experimentally and theoretically. Synchrotron radiation has been employed to record angle resolved photoelectron spectra in the photon energy range 20-100 eV, and these have enabled anisotropy parameters and branching ratios to be derived. The experimental results have been compared with theoretical predictions obtained using the continuum multiple scattering X alpha approach. This comparison shows that the anisotropy parameter associated with the nominally chlorine lone-pair orbital lying in the molecular plane is strongly affected by the atomic Cooper minimum. In contrast, the photoionization dynamics of the second lone-pair orbital, orientated perpendicular to the molecular plane, seem relatively unaffected by this atomic phenomenon. The outer valence ionization has been studied theoretically using the third-order algebraic-diagrammatic construction (ADC(3)) approximation scheme for the one-particle Green's function, the outer valence Green's function method, and the equation-of-motion (EOM) coupled cluster (CC) theory at the level of the EOM-IP-CCSD and EOM-EE-CC3 models. The convergence of the results to the complete basis set limit has been investigated. The ADC(3) method has been employed to compute the complete valence shell ionization spectra of 2-chloropyridine and 3-chloropyridine. The relaxation mechanism for ionization of the nitrogen sigma-type lone-pair orbital (sigma(N) (LP)) has been found to be different to that for the corresponding chlorine lone-pair (sigma(Cl) (LP)). For the sigma(N) (LP) orbital, pi-pi* excitations play the main role in the screening of the lone-pair hole. In contrast, excitations localized at the chlorine site involving the chlorine pi(Cl) (LP) lone-pair and the Cl 4p Rydberg orbital are the most important for the sigma(Cl) (LP) orbital. The calculated photoelectron spectra have allowed assignments to be proposed for most of the structure observed in the experimental spectra. The theoretical work also highlights the formation of satellite states, due to the breakdown of the single particle model of ionization, in the inner valence region.
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17.
  • Holland, D. M. P., et al. (författare)
  • An experimental and theoretical study of the valence shell photoelectron spectrum of bromochlorofluoromethane
  • 2010
  • Ingår i: Journal of Physics B. - : IOP Publishing. - 0953-4075 .- 1361-6455. ; 43:13, s. 135101-
  • Tidskriftsartikel (refereegranskat)abstract
    • The complete valence shell photoelectron spectrum of bromochlorofluoromethane (CHFClBr), covering the binding energy range similar to 10-50 eV, has been recorded using synchrotron radiation and the observed structure has been interpreted using ionization energies and relative spectral intensities computed using the third-order algebraic-diagrammatic-construction (ADC(3)) scheme for the one-particle Green's function and the outer valence Green's function (OVGF) method. The theoretical results demonstrate that the inner valence region of the photoelectron spectrum is dominated by satellite structure. Angle-resolved photoelectron spectra, recorded at selected excitation energies, have enabled the orbital assignments for the outer valence bands to be confirmed. The four outermost photoelectron bands, ascribed to the two pairs of orbitals associated with the nominally chlorine and bromine lone-pairs, exhibit characteristic angular distributions. The photon energy dependent variations in the relative photoelectron band intensities provide additional support for the orbital assignments.
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18.
  • Popok, Vladimir, 1966, et al. (författare)
  • Optical and AFM study of ion-synthesised silver nanoparticles in thin surface layers of SiO2 glass
  • 2010
  • Ingår i: JOURNAL OF NON-CRYSTALLINE SOLIDS. - 0022-3093. ; 356:25-27, s. 1258-1261
  • Tidskriftsartikel (refereegranskat)abstract
    • Silver nanoparticles were synthesised in thin surface layers of SiO 2 glass by 30 keV implantation of Ag+ ions with various fluences. Properties of the composites were studied using optical spectroscopy and atomic force microscopy. Optical spectra reveal specific absorption bands assigned to the surface plasmon resonance of the nucleated Ag nanoparticles. The spectral positions of absorption maxima are found to be dependent on the ion fluence that corresponds to the difference in mean sizes of the nanoparticles. Microscopy study shows formation of hemispherical nanosize bumps on the glass surfaces which represent a near-surface fraction of the partly towered nanoparticles. Post-implantation annealing leads to a shift of the plasmon maxima and to a change of the band widths. The transformations of optical spectra are in good agreementwith the change of nanoparticle sizes found by atomic force microscopy. Possible mechanisms governing the redistribution of the nanoparticles in size under the thermal treatment are suggested and discussed. © 2010 Elsevier B.V. All rights reserved.
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19.
  • Sukstanskii, A., et al. (författare)
  • Impedance of a ferromagnetic sandwich strip
  • 2001
  • Ingår i: Journal of Applied Physics. - 0021-8979 .- 1089-7550. ; 89:1, s. 775-782
  • Tidskriftsartikel (refereegranskat)abstract
    • A theoretical approach for calculating the impedance of a three-layer sandwich, consisting of two metallic ferromagnetic layers separated by a non-magnetic conductive layer, is presented. The Maxwell equations for the electromagnetic field coupled with the Landau-Lifshitz equations for the magnetization dynamics are solved, which enables one to describe the system over a wide frequency range, including the ferromagnetic resonance. Two sandwich strip structures are analyzed, both having thickness much less than the width, and the width much less than the length: a closed structure with the magnetic film closing at the edges along the width, and an open structure without flux closures where all the layers have the same width. The impedance for the two structures is calculated and analyzed as a function of the physical parameters of the device and frequency. The closed structure is more efficient magnetically and exhibits a highly inductive response to much higher frequencies than the open structure. The analytical results obtained are directly applicable to practical design of GHz inductive components.
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20.
  • Trofimov, A. B., et al. (författare)
  • Ionization of pyridine : Interplay of orbital relaxation and electron correlation
  • 2017
  • Ingår i: Journal of Chemical Physics. - : AMER INST PHYSICS. - 0021-9606 .- 1089-7690. ; 146:24
  • Tidskriftsartikel (refereegranskat)abstract
    • The valence shell ionization spectrum of pyridine was studied using the third-order algebraic-diagrammatic construction approximation scheme for the one-particle Green's function and the outer-valence Green's function method. The results were used to interpret angle resolved photoelectron spectra recorded with synchrotron radiation in the photon energy range of 17-120 eV. The lowest four states of the pyridine radical cation, namely, (2)A(2)(1a(2)(-1)), (2)A(1)(7a(1)(-1)), B-2(1)(2b(1)(-1)), and B-2(2)(5b(2)(-1)), were studied in detail using various high-level electronic structure calculation methods. The vertical ionization energies were established using the equation-of-motion coupled-cluster approach with single, double, and triple excitations (EOM-IP-CCSDT) and the complete basis set extrapolation technique. Further interpretation of the electronic structure results was accomplished using Dyson orbitals, electron density difference plots, and a second-order perturbation theory treatment for the relaxation energy. Strong orbital relaxation and electron correlation effects were shown to accompany ionization of the 7a1 orbital, which formally represents the nonbonding sigma-type nitrogen lone-pair (n sigma) orbital. The theoretical work establishes the important roles of the pi-system (pi-pi* excitations) in the screening of the n sigma-hole and of the relaxation of the molecular orbitals in the formation of the 7a(1)(n sigma)(-1) state. Equilibrium geometric parameters were computed using the MP2 (second-order Moller-Plesset perturbation theory) and CCSD methods, and the harmonic vibrational frequencies were obtained at the MP2 level of theory for the lowest three cation states. The results were used to estimate the adiabatic 0-0 ionization energies, which were then compared to the available experimental and theoretical data. Photoelectron anisotropy parameters and photoionization partial cross sections, derived from the experimental spectra, were compared to predictions obtained with the continuum multiple scattering approach.
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21.
  • Bunyoz, K. I., et al. (författare)
  • No difference in whole-blood metal ions between 32-mm and 36-to 44-mm femoral heads in metal-on-polyethylene total hip arthroplasty: a 2-year report from a randomised control trial
  • 2023
  • Ingår i: HIP International. - : SAGE Publications. - 1120-7000 .- 1724-6067. ; 33:2, s. 184-192
  • Tidskriftsartikel (refereegranskat)abstract
    • Aim: To investigate the effect of femoral head size on blood metal-ion levels caused by taper corrosion in metal-on-polyethylene total hip arthroplasty, comparing 36- to 44-mm heads with 32-mm heads. Methods: In a randomised, controlled, single-blinded trial, 96 patients were allocated to receive either a 32-mm metal head or the largest possible metal head (36-44 mm) that could be accommodated in the thinnest available vitamin E, cross-linked polyethylene insert. Blood metal ion levels were collected at 1- and 2-year follow-ups. Results: At 1-year, metal-ion levels did not differ between the groups. The median (interquartile range) blood-ion levels for the 32-mm versus the 36- to 44-mm group were 0.11 mu g/L (0.08-0.15) versus 0.12 mu g/L (0.08-0.22), p = 0.546, for cobalt, 0.50 mu g/L (0.50-0.59) versus 0.50 mu g/L (0.50-1.20), p = 0.059, for chromium and 1.58 mu g/L (1.38-2.05) versus 1.48 mu g/L (1.14-1.87), p = 0.385, for titanium. At 2 years, there was no difference either and the corresponding values were 0.15 mu g/L (0.12-0.24) versus 0.18 mu g/L (0.12-0.28), p = 0.682 for cobalt, 0.50 mu g/L (0.50-0.50) versus 0.50 mu g/L (0.50-0.57), p = 0.554, for chromium and 1.54 mu g/L (1.16-1.87) versus 1.42 mu g/L (1.01-1.72), p = 0.207 for titanium. Conclusions: The use of the largest possible metal head (36-44 mm) compared to a 32-mm head in metal-on-polyethylene bearings does not appear to elevate blood metal-ion levels up to 2 years postoperatively. As taper corrosion is probably time-dependent, longer-term reports are needed to evaluate the association between large metal heads and blood metal ion levels. Trial registration: ClinicalTrials.gov (reg. ID NCT0231 6704)
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22.
  • Cavaglià, A., et al. (författare)
  • On the exact interpolating function in ABJ theory
  • 2016
  • Ingår i: Journal of High Energy Physics (JHEP). - 1126-6708 .- 1029-8479. ; 2016:12
  • Tidskriftsartikel (refereegranskat)abstract
    • Based on the recent indications of integrability in the planar ABJ model, we conjecture an exact expression for the interpolating function h(λ1, λ2) in this theory. Our conjecture is based on the observation that the integrability structure of the ABJM theory given by its Quantum Spectral Curve is very rigid and does not allow for a simple consistent modification. Under this assumption, we revised the previous comparison of localization results and exact all loop integrability calculations done for the ABJM theory by one of the authors and Grigory Sizov, fixing h(λ1, λ2). We checked our conjecture against various weak coupling expansions, at strong coupling and also demonstrated its invariance under the Seiberg-like duality. This match also gives further support to the integrability of the model. If our conjecture is correct, it extends all the available integrability results in the ABJM model to the ABJ model.
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23.
  • Celis, Julio E., et al. (författare)
  • 15-Prostaglandin Dehydrogenase Expression Alone or in Combination with ACSM1 Defines a Subgroup of the Apocrine Molecular Subtype of Breast Carcinoma
  • 2008
  • Ingår i: Molecular & Cellular Proteomics. - 1535-9484. ; 7:10, s. 1795-1809
  • Tidskriftsartikel (refereegranskat)abstract
    • Established histopathological criteria divide invasive breast carcinomas into defined groups. Ductal of no specific type and lobular are the two major subtypes accounting for around 75 and 15% of all cases, respectively. The remaining 10% include rarer types such as tubular, cribriform, mucinous, papillary, medullary, metaplastic, and apocrine breast carcinomas. Molecular profiling technologies, on the other hand, subdivide breast tumors into five subtypes, basal-like, luminal A, luminal B, normal breast tissue-like, and ERBB2-positive, that have different prognostic characteristics. An additional subclass termed "molecular apocrine" has recently been described, but these lesions did not exhibit all the histopathological features of classical invasive apocrine carcinomas (IACs). IACs make up 0.5-3% of the invasive ductal carcinomas, and despite the fact that they are morphologically distinct from other breast lesions, there are presently no standard molecular criteria available for their diagnosis and as a result no precise information as to their prognosis. Toward this goal our laboratories have embarked in a systematic proteomics endeavor aimed at identifying biomarkers that may characterize and subtype these lesions as well as targets that may lead to the development of novel targeted therapies and chemoprevention strategies. By comparing the protein expression profiles of apocrine macrocysts and non-malignant breast epithelial tissue we have previously reported the identification of a few proteins that are specifically expressed by benign apocrine lesions as well as by the few IACs that were available to us at the time. Here we reiterate our strategy to reveal apocrine cell markers and present novel data, based on the analysis of a considerably larger number of samples, establishing that IACs correspond to a distinct molecular subtype of breast carcinomas characterized by the expression of 15-prostaglandin dehydrogenase alone or in combination with a novel form of acyl-CoA synthetase medium-chain family member 1 (ACSM1). Moreover we show that 15-prostaglandin dehydrogenase is not expressed by other breast cancer types as determined by gel-based proteomics and immunohistochemistry analysis and that antibodies against this protein can identify IACs in an unbiased manner in a large breast cancer tissue microarray making them potentially useful as a diagnostic aid. Molecular & Cellular Proteomics 7: 1795-1809, 2008.
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24.
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25.
  • Gromov, A., et al. (författare)
  • Electromagnetic analysis of layered magnetic/conductor structures
  • 2000
  • Ingår i: Journal of Physics D. - : IOP Publishing. - 0022-3727 .- 1361-6463. ; 33:7, s. 773-779
  • Tidskriftsartikel (refereegranskat)abstract
    • A method is described for calculating the impedance of conductor structures comprised of ferromagnetic and non-magnetic layers of arbitrary cross sectional shape with transverse dimensions which are small compared to the conductors length. The method is exemplified on a conductor of axial symmetry enclosed in a high permeability film of uniaxial anisotropy along the conductor axis. To find the impedance the full boundary value problem for the vector potential is solved, allowing driving and eddy currents in both the conductor and the magnetic film, and taking into account the dynamics of the magnetization governed by the Landau-Lifshitz equations. The results obtained are used to model the giant magneto impedance effect in ferromagnetically coated wires.
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26.
  • Gromov, Sergey P, et al. (författare)
  • Novel Photoswitchable Receptors: Synthesis and Cation-Induced Self-Assembly into Dimeric Complexes Leading to Stereospecific [2+2]-Photocycloaddition of Styryl Dyes Containing a 15-Crown-5 Ether Unit
  • 2003
  • Ingår i: The Journal of Organic Chemistry. - : American Chemical Society (ACS). - 0022-3263 .- 1520-6904. ; 68:16, s. 6115-25
  • Tidskriftsartikel (refereegranskat)abstract
    • Styryl dyes 4a-e containing a 15-crown-5 ether unit and a quinoline residue with a sulfonatoalkyl or sulfonatobenzyl N-substituent were synthesized. The relationship between the photochemical behavior of these dyes and their aggregates derived from complexation with Mg2+ in MeCN was studied using 1H NMR and absorption spectroscopy. The E-isomers of 4a-e were shown to form highly stable dimeric (2:2) complexes with Mg2+. Upon irradiation with visible light, the dimeric complexes undergo two competing photoreactions, viz., geometric E Z isomerization, resulting in an anion-capped 1:1 complex of the Z-isomer with Mg2+ and stereospecific syn-head-to-tail [2+2]-cycloaddition, affording a single isomer of bis-crown-containing cyclobutane. The N-substituent in the dye has a dramatic effect on the photochemical behavior of the dimeric complex. Molecular dynamics and semiempirical quantum-chemical calculations were carried out to interpret the observed photocycloaddition in the dimer. Conformational equilibria for the dimer of (E)-4b were analyzed using 1H NMR spectroscopy.
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27.
  • Gromov, Sergey P, et al. (författare)
  • Synthesis, Structure, Spectroscopic Studies, and Complexation of Novel Crown Ether Butadienyl Dyes
  • 2002
  • Ingår i: Helvetica Chimica Acta. ; 85:1, s. 60-81
  • Tidskriftsartikel (refereegranskat)abstract
    • Butadienyl dyes of the benzothiazole series with various fragments of benzocrown ethers 1a-c were synthesized for the first time. The structures and spectral properties of crown-containing butadienyl dyes and their complexes with alkali and alkaline-earth metal cations were studied by X-ray diffraction analysis and 1H-NMR, UV/VIS, and resonance Raman spectroscopy. To interpret the experimental results, quantum-chemical calculations were performed. In the case of Sr2+ and Ba2+ ions, the formation of strong sandwich complexes [M(1b)2]2+ of an unusual structure involving stacking interactions was established; the dye molecules are arranged one above another in the complex according to the head-to-head' pattern.
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28.
  • Hedén, Martin, 1976, et al. (författare)
  • Thermal radiation from CN+ and La@CN
  • 2005
  • Ingår i: J. Chem. Phys.. - : AIP Publishing. - 0021-9606. ; 123
  • Tidskriftsartikel (refereegranskat)abstract
    • The radiative cooling of positively charged fullerene and endohedral fullerene fragments of C60, C70, C84, and La@C82 has been measured in a time-of-flight mass spectrometer. The radiative cooling is measured via its influence on the metastable decay. The emissivity extracted from the data is between 4×10–4 and 13×10–4. These values agree fairly well with the emissivity calculated from considering the low-energy tail of the surface plasmon. No major difference is found in the emission behavior of empty and endohedral fullerenes.
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29.
  • Lassesson, Andreas, 1976, et al. (författare)
  • A femtosecond laser study of the endoral fullerenes Li@C60 and La@C82
  • 2005
  • Ingår i: Eur. Phys. J. D. - : Springer Science and Business Media LLC. - 1434-6060. ; 34, s. 205-209
  • Tidskriftsartikel (refereegranskat)abstract
    • The endohedral fullerenes La@C82 and Li@C60 have been studied in the gas phase with femtosecond laser excitation. The two molecules show qualitatively the same behaviour with respect to ion yield vs. pulse energy, but markedly different fragmentation patterns, with La@C82 fragmenting via the shrink-wrap mechanism and Li@C60 predominantly losing the metal atom in the first fragmentation step. The ion yields and electron energy distributions of La@C82 agree well with a recently developed model for fs laser ionisation of C60.
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30.
  • Lassesson, Andreas, 1976, et al. (författare)
  • Formation of small lanthanum-carbide ions from laser induced fragmentation of La@C-82
  • 2003
  • Ingår i: Journal of Chemical Physics. - : AIP Publishing. - 1089-7690 .- 0021-9606. ; 119:11, s. 5591-5600
  • Tidskriftsartikel (refereegranskat)abstract
    • The fragmentation behavior of the endohedral metallofullerene La@C-82 was studied using gas phase time-of-flight mass spectrometry. The results were compared with the fragmentation of C-60. When the metallofullerene was excited by a 337 nm ns laser, small lanthanum-carbide fragments LaCn+, n=0-6, were detected. A simple statistical maximum entropy model was used to simulate the excitation energy dependence of the loss of the LaCn+ molecules as well as C-2 evaporation to form smaller metallofullerenes. By comparing experimental ion intensities with the model, the appearance energies of LaCn+, n=0-6, were found to lie above 65 eV. The lanthanum-carbide fragments ejected from La@C-82 decrease in size with increasing internal energy. The ejection of La+ and LaC2+ is preferred at the expense of larger fragments such as LaC4+ and metallofullerenes at the higher excitation. (C) 2003 American Institute of Physics.
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31.
  • Lassesson, Andreas, 1976, et al. (författare)
  • Investigations into the fragmentation and ionization of highly excited La@C-82
  • 2002
  • Ingår i: Journal of Chemical Physics. - : AIP Publishing. - 1089-7690 .- 0021-9606. ; 117:21, s. 9811-9817
  • Tidskriftsartikel (refereegranskat)abstract
    • We report the first measurements of delayed ionization of the metallofullerene La@C-82. When highly excited in laser desorption, La@C-82 was found to ionize over several microseconds. The rate of delayed ionization of La@C-82 was compared to C-60 under the same extraction conditions, and found to be significantly different. A theoretical model was used for the fitting of the ion signal of the two fullerenes. The metallofullerene results can be fitted well over a time window
  •  
32.
  • Popok, Vladimir, 1966, et al. (författare)
  • Electronic Properties of thin films sublimed from La@C82 and Li@C60
  • 2008
  • Ingår i: Nano. ; 3:3, s. 155-160
  • Tidskriftsartikel (refereegranskat)abstract
    • La@C82 and Li@C60 thin films obtained by sublimation in vacuum are studied using four-probe current-voltage measurements and atomic force microscopy. In situ electrical measurements show semiconducting behavior of both films with room-temperature resistivity of 21+-8 and 1230+-50 Ohm.cm for the La@C82 and Li@C60, respectively. A variable range hopping mechanism of conductance is suggested from the temperature dependences of resistance. The activation energies for electron transport are calculated for both metallofullerenes. Irreversible changes to the Li@C60 film structure increasing the film resistivity to values typical for C60 are found at elevated temperatures. The effect of exposure to ambient atmosphere on the conductance of the films is discussed.
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33.
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34.
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35.
  • Tsikandylakis, Georgios, et al. (författare)
  • Does the use of the largest possible metal head increase the wear of vitamin E-doped cross-linked polyethylene? Two-year results from a randomized controlled trial
  • 2021
  • Ingår i: Bone & Joint Journal. - 2049-4394. ; 103B:7, s. 1206-1214
  • Tidskriftsartikel (refereegranskat)abstract
    • Aims We aimed to investigate if the use of the largest possible cobalt-chromium head articulating with polyethylene acetabular inserts would increase the in vivo wear rate in total hip arthroplasty. Methods In a single-blinded randomized controlled trial, 96 patients (43 females), at a median age of 63 years (interquartile range (IQR) 57 to 69), were allocated to receive either the largest possible modular femoral head (36 mm to 44 mm) in the thinnest possible insert or a standard 32 mm head. All patients received a vitamin E-doped cross-linked polyethylene insert and a cobalt-chromium head. The primary outcome was proximal head penetration measured with radiostereometric analysis (RSA) at two years. Secondary outcomes were volumetric wear, periacetabular radiolucencies, and patient-reported outcomes. Results At two years, 44 patients in each group were available for RSA assessment. The median total two-year proximal head penetration was -0.02 mm (IQR -0.09 to 0.07; p = 0.548) for the largest possible head and -0.01 mm (IQR -0.07 to 0.10; p = 0.525) for 32 mm heads. Their difference was not statistically significant (p = 0.323). Neither group demonstrated a bedding-in period. The median steady-state volumetric wear rates were 6.1 mm(3)/year (IQR -59 to 57) and 3.5 mm(3)/year (-21 to 34) respectively, and did not differ between the groups (p = 0.848). There were no statistically significant differences in periacetabular radiolucencies or patient-reported outcomes. Conclusion The use of the largest possible metal head did not increase vitamin E-doped cross-linked polyethylene wear compared with 32 mm heads at two years. Linear wear was negligible and volumetric wear rates were very low in both head size groups. There was a tendency towards higher values of volumetric wear in large heads that warrants longer-term evaluation before any definite conclusions about the association between head size and wear can be drawn.
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36.
  • Ushakov, Evgeny N, et al. (författare)
  • Self-Organization of Highly Stable Electron Donor-Acceptor Complexes via Host-Guest Interactions
  • 2002
  • Ingår i: The Journal of Physical Chemistry A. - : American Chemical Society (ACS). - 1089-5639 .- 1520-5215. ; 106:10, s. 2020-3
  • Tidskriftsartikel (refereegranskat)abstract
    • Biscrown stilbene S forms complexes of 1:1 and 2:1 composition with bisammonium viologen salt V4+ in acetonitrile solution. Both of the complexes exhibit spectroscopic behavior typical of molecular electron donor-acceptor complexes. The 1:1 complex [S·V]4+ has a very high thermodynamic stability (log K = 9.08), which is due to simultaneous interaction of the two ammonium groups of V4+ with the two 18-crown-6-ether units of S. The 2:1 complex (log K = 12.28) [S·V·S]4+ likely has a sandwich-type layered structure in which the acceptor salt is located between two complexed molecules of the biscrown stilbene.
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