| 1. |
- Cruz, Raquel, et al.
(författare)
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Novel genes and sex differences in COVID-19 severity
- 2022
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Ingår i: Human Molecular Genetics. - : Oxford University Press. - 0964-6906 .- 1460-2083. ; 31:22, s. 3789-3806
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Tidskriftsartikel (refereegranskat)abstract
- Here, we describe the results of a genome-wide study conducted in 11 939 coronavirus disease 2019 (COVID-19) positive cases with an extensive clinical information that were recruited from 34 hospitals across Spain (SCOURGE consortium). In sex-disaggregated genome-wide association studies for COVID-19 hospitalization, genome-wide significance (P < 5 × 10−8) was crossed for variants in 3p21.31 and 21q22.11 loci only among males (P = 1.3 × 10−22 and P = 8.1 × 10−12, respectively), and for variants in 9q21.32 near TLE1 only among females (P = 4.4 × 10−8). In a second phase, results were combined with an independent Spanish cohort (1598 COVID-19 cases and 1068 population controls), revealing in the overall analysis two novel risk loci in 9p13.3 and 19q13.12, with fine-mapping prioritized variants functionally associated with AQP3 (P = 2.7 × 10−8) and ARHGAP33 (P = 1.3 × 10−8), respectively. The meta-analysis of both phases with four European studies stratified by sex from the Host Genetics Initiative (HGI) confirmed the association of the 3p21.31 and 21q22.11 loci predominantly in males and replicated a recently reported variant in 11p13 (ELF5, P = 4.1 × 10−8). Six of the COVID-19 HGI discovered loci were replicated and an HGI-based genetic risk score predicted the severity strata in SCOURGE. We also found more SNP-heritability and larger heritability differences by age (<60 or ≥60 years) among males than among females. Parallel genome-wide screening of inbreeding depression in SCOURGE also showed an effect of homozygosity in COVID-19 hospitalization and severity and this effect was stronger among older males. In summary, new candidate genes for COVID-19 severity and evidence supporting genetic disparities among sexes are provided.
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| 2. |
- de Rojas, I., et al.
(författare)
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Common variants in Alzheimer’s disease and risk stratification by polygenic risk scores
- 2021
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Ingår i: Nature Communications. - : Springer Science and Business Media LLC. - 2041-1723. ; 12:1
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Tidskriftsartikel (refereegranskat)abstract
- Genetic discoveries of Alzheimer’s disease are the drivers of our understanding, and together with polygenetic risk stratification can contribute towards planning of feasible and efficient preventive and curative clinical trials. We first perform a large genetic association study by merging all available case-control datasets and by-proxy study results (discovery n = 409,435 and validation size n = 58,190). Here, we add six variants associated with Alzheimer’s disease risk (near APP, CHRNE, PRKD3/NDUFAF7, PLCG2 and two exonic variants in the SHARPIN gene). Assessment of the polygenic risk score and stratifying by APOE reveal a 4 to 5.5 years difference in median age at onset of Alzheimer’s disease patients in APOE ɛ4 carriers. Because of this study, the underlying mechanisms of APP can be studied to refine the amyloid cascade and the polygenic risk score provides a tool to select individuals at high risk of Alzheimer’s disease. © 2021, The Author(s).
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| 3. |
- Ferrando, Carlos, et al.
(författare)
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Effects of oxygen on post-surgical infections during an individualised perioperative open-lung ventilatory strategy : a randomised controlled trial
- 2020
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Ingår i: British Journal of Anaesthesia. - : ELSEVIER SCI LTD. - 0007-0912 .- 1471-6771. ; 124:1, s. 110-120
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Tidskriftsartikel (refereegranskat)abstract
- Background: We aimed to examine whether using a high fraction of inspired oxygen (FIO2) in the context of an individualised intra- and postoperative open-lung ventilation approach could decrease surgical site infection (SSI) in patients scheduled for abdominal surgery. Methods: We performed a multicentre, randomised controlled clinical trial in a network of 21 university hospitals from June 6, 2017 to July 19, 2018. Patients undergoing abdominal surgery were randomly assigned to receive a high (0.80) or conventional (0.3) FIO2 during the intraoperative period and during the first 3 postoperative hours. All patients were mechanically ventilated with an open-lung strategy, which included recruitment manoeuvres and individualised positive end-expiratory pressure for the best respiratory-system compliance, and individualised continuous postoperative airway pressure for adequate peripheral oxyhaemoglobin saturation. The primary outcome was the prevalence of SSI within the first 7 postoperative days. The secondary outcomes were composites of systemic complications, length of intensive care and hospital stay, and 6-month mortality. Results: We enrolled 740 subjects: 371 in the high FIO2 group and 369 in the low FIO2 group. Data from 717 subjects were available for final analysis. The rate of SSI during the first postoperative week did not differ between high (8.9%) and low (9.4%) FIO2 groups (relative risk [RR]: 0.94; 95% confidence interval [CI]: 0.59-1.50; P=0.90]). Secondary outcomes, such as atelectasis (7.7% vs 9.8%; RR: 0.77; 95% CI: 0.48-1.25; P=0.38) and myocardial ischaemia (0.6% [n=2] vs 0% [n=0]; P=0.47) did not differ between groups. Conclusions: An oxygenation strategy using high FIO2 compared with conventional FIO2 did not reduce postoperative SSIs in abdominal surgery. No differences in secondary outcomes or adverse events were found.
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| 4. |
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| 5. |
- Alejandro Zamora-Briseno, Jesus, et al.
(författare)
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iTRAQ-Based Proteomic Profile Analysis of the Hepatopancreas of Caribbean Spiny Lobsters Infected WithPanulirus argusVirus 1 : Metabolic and Physiological Implications
- 2020
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Ingår i: Frontiers in Microbiology. - : Frontiers Media SA. - 1664-302X. ; 11
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Tidskriftsartikel (refereegranskat)abstract
- The Caribbean spiny lobsterPanulirus argus(Latreille, 1084) sustains economically valuable fisheries throughout the wider Caribbean region. This species is currently affected by the pathogenic virusPanulirus argusVirus 1 (PaV1) that causes a systemic and chronic-degenerative infection in juvenile spiny lobstersP. argus. To date, there is no available information regarding the host alterations induced by this pathogen at the molecular level. In the present study, comparative proteomic analyses of the changes in the hepatopancreas between infected and non-infected juvenile lobsters were analyzed by isobaric tags for relative and absolute quantitation (iTRAQ) coupled to synchronous precursor selection (SPS)-based MS3. We identified a total of 636 proteins, being 68 down-regulated and 71 up-regulated proteins. Among the down-regulated proteins, we identified several enzymes involved in the metabolism of hormones and lipids, digestive proteases and glycosidases, while proteins associated with the histone core, protein synthesis, immune response and RNA regulation were up-regulated. Several misregulated enzymes involved in the regulation of neuromodulators were also identified. RT-qPCR assays were used to validate the expression of transcripts encoding for selected differential proteins that were in concordance to proteomic data, as well as the tendency observed in the enzymatic activities of trypsin, chymotrypsin, and glycosidase. In a similar way, we observed glycogen reduction in muscle, and an increase in plasma acylglycerides and glucose, which may be explained by proteomic data. This study provides the first insight into the molecular changes in the hepatopancreas of Caribbean spiny lobsters associated to PaV1 infection. Data provided herein would help to clarify the origin of the molecular misregulations observed at macroscopic level in this host-pathogen interaction.
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| 6. |
- Álvarez Ruiz, Jesús, et al.
(författare)
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Neutral dissociation of superexcited states in carbon monoxide
- 2002
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Ingår i: Journal of Physics B. - : IOP Publishing. - 0953-4075 .- 1361-6455. ; 35:13, s. 2975-2983
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Tidskriftsartikel (refereegranskat)abstract
- Neutral photodissociation of CO has been investigated using synchrotron light in the range 19-26 eV by observing dispersed fluorescence from excited neutral C atoms. Follow-up ab initio calculations support the observed neutral carbon excitation functions, which to a large extent are associated with the CO Rydberg - series converging to the CO+ C and D states.
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| 7. |
- Álvarez Ruiz, Jesús
(författare)
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Photon induced fluorescence studies of molecules using synchrotron radiation
- 2003
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Licentiatavhandling (övrigt vetenskapligt/konstnärligt)abstract
- This Licentiate thesis presents research accomplished at theSection of Atomic and Molecular Physics at the Royal Instituteof Technology in Stockholm using photon induced fluorescencespectroscopy (PIFS) during the last two years.The main results presented are summarized:- Neutral photodissociation in CO was observed aftersynchrotron photon excitation in the range 19-26 eV bycollecting dispersed fluorescence from excited neutral C atoms.Follow-up ab initio calculations point out CO Rydberg seriesconverging to the CO+ C and D states as precursors.- The branching ratio between N2 + (B-X)(v’=1,v’’=2) and (v’=0,v’’=1)transitions in the 20-46 eV energy range reveals strongnon-Franck-Condon effects. Ab initio calculations indicate thatthe autoionization of certain superexcited states areresponsible for some of the structures present in the branchingratio curve, confirming the important role of non-Rydbergdoubly excited resonant states (NRDERS) in de-excitationprocesses above the ionization potential.- Photon induced neutral dissociation processes in NO arereported. Neither Rydberg series nor other molecular states inNO known so far can account for the collected data. From abinitio calculations more information regarding the NO precursorstates and the mechanism behind the observed neutraldissociation were obtained.- The details of a new experimental set-up for gas phasefluorescence measurements using synchrotron radiation aredescribed. It is able to perform simultaneous measurements ofdispersed and total fluorescence in the visible range. Thefirst results obtained with this set-up are presented,concerning fluorescence after excitation of the N2 molecules inthe N 1s edge.These four studies conform the set of papers enclosed in theLicentiate thesis.Finally a pre-study to further apply PIFS to speciespreviously excited by microwave discharge is included as futureplans.
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| 8. |
- Álvarez Ruiz, Jesús, 1975-
(författare)
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Synchrotron radiation induced fluorescence spectroscopy of gas phase molecules
- 2004
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Doktorsavhandling (övrigt vetenskapligt/konstnärligt)abstract
- A new experimental set-up for gas phase fluorescence studies using synchrotron radiation has been designed and constructed to perform simultaneously total and dispersed fluorescence measurements. Neutral photodissociation of CO has been investigated after excitation with 19-26 eV photons. Fluorescence from 3p 3P, 3p 3S and 3p 1D excited states in carbon was recorded and interpreted by ab initio calculations. The population and dissociation of states belonging to the C and D Rydberg series in CO seem to explain the production of the observed triplet states but not the 3p 1D state. Neutral photodissociation of NO is reported in the 17-26 eV energy range. No known molecular states can account for the collected data. New information regarding the precursor states of the observed neutral dissociation is provided by ab initio calculations. Autoionization of superexcited states in molecular nitrogen is evidenced by strong deviations of the Franck-Condon ratio in the fluorescence of the N2+ B state. Ab initio calculations predict the existence of autoionizing-excited states that may account for some of the observed structures in the 20-46 eV energy range. Selective molecular fluorescence from the npó1Óu+ and npð 1Ðu (n=3-7) Rydberg levels to the E,F 1Óg+ state in H2 was recorded and rotationally analyzed. Vibrational levels of the E,F 1Óg+ state (vEF =0,1,3,6-10) are determined. The predissociation of npð 1Ð+ levels is observed in agreement with the literature. Fragmentation of SF6 was investigated after excitation with 25–80 eV photons. Dispersed fluorescence measurements reveal the emission of S, S+, F and F+ excited atoms. These fragments are produced after single, double and triple excitations as well as direct ionizations and shake-ups in SF6. Photoabsorption and fluorescence yield have been measured in SF5CF3 using 10-30eV photons. The photoabsorption spectrum can be explained in terms of its similarities to those of the SF6 and CF4 molecules. The dispersed and un-dispersed fluorescence resemble those of the CF3X family. Several features suggest the migration of an F atom across the S-C bond that fragments the molecule producing excited CF4. Doubly excited states of H2 have been investigated in the range of 26-60 eV by monitoring Balmer á emission. The experimental data show the already known emission correlated with the fragmentation of the Q1 and Q2 states, and new features which could be attributed to dissociative photoionization and higher lying doubly excited states Qn (n>2) of the hydrogen molecule
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| 9. |
- Alvarez Ruiz, Jesus, et al.
(författare)
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Synchrotron radiation induced fluorescence spectroscopy of SF6
- 2005
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Ingår i: Journal of Physics B. - : IOP Publishing. - 0953-4075 .- 1361-6455. ; 38, s. 387-
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Tidskriftsartikel (refereegranskat)abstract
- The fluorescence of gaseous SF6 was investigated after excitation with 25-80eV synchrotron radiation photons. The total UV-Vis-near IR fluorescence yield was recorded and interpreted in terms of inner valence excitations/ionizations and double excitations in SF6. Dispersed fluorescence measurements in the 400-1000 nm spectral range reveal excited S, S+, F and F+ fragments as solely responsible for the emission. The fluorescence intensity of some of the observed atomic transitions was monitored as a function of the excitation energy. Single, double and triple excitations as well as direct ionizations and shake-ups are proposed as the triggering processes responsible for the creation of the emitting fragments.
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| 10. |
- Bentham, James, et al.
(författare)
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A century of trends in adult human height
- 2016
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Ingår i: eLIFE. - 2050-084X. ; 5
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Tidskriftsartikel (refereegranskat)abstract
- Being taller is associated with enhanced longevity, and higher education and earnings. We reanalysed 1472 population-based studies, with measurement of height on more than 18.6 million participants to estimate mean height for people born between 1896 and 1996 in 200 countries. The largest gain in adult height over the past century has occurred in South Korean women and Iranian men, who became 20.2 cm (95% credible interval 17.522.7) and 16.5 cm (13.319.7) taller, respectively. In contrast, there was little change in adult height in some sub-Saharan African countries and in South Asia over the century of analysis. The tallest people over these 100 years are men born in the Netherlands in the last quarter of 20th century, whose average heights surpassed 182.5 cm, and the shortest were women born in Guatemala in 1896 (140.3 cm; 135.8144.8). The height differential between the tallest and shortest populations was 19-20 cm a century ago, and has remained the same for women and increased for men a century later despite substantial changes in the ranking of countries.
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| 11. |
- Bentham, James, et al.
(författare)
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A century of trends in adult human height
- 2016
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Ingår i: eLIFE. - : eLife Sciences Publications Ltd. - 2050-084X. ; 5
-
Tidskriftsartikel (refereegranskat)abstract
- Being taller is associated with enhanced longevity, and higher education and earnings. We reanalysed 1472 population-based studies, with measurement of height on more than 18.6 million participants to estimate mean height for people born between 1896 and 1996 in 200 countries. The largest gain in adult height over the past century has occurred in South Korean women and Iranian men, who became 20.2 cm (95% credible interval 17.5–22.7) and 16.5 cm (13.3– 19.7) taller, respectively. In contrast, there was little change in adult height in some sub-Saharan African countries and in South Asia over the century of analysis. The tallest people over these 100 years are men born in the Netherlands in the last quarter of 20th century, whose average heights surpassed 182.5 cm, and the shortest were women born in Guatemala in 1896 (140.3 cm; 135.8– 144.8). The height differential between the tallest and shortest populations was 19-20 cm a century ago, and has remained the same for women and increased for men a century later despite substantial changes in the ranking of countries.
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| 12. |
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| 13. |
- García, Emilio Melero, et al.
(författare)
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Neutral dissociation of superexcited states in nitric oxide
- 2003
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Ingår i: Chemical Physics. - 0301-0104 .- 1873-4421. ; 293:1, s. 65-73
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Tidskriftsartikel (refereegranskat)abstract
- Near-infrared dispersed fluorescence measurements of 13 different atomic multiplets of neutral atomic fragments from photon induced neutral dissociation processes in NO are reported. For excitation of the molecules narrow band synchrotron photons of energy 17.2-25.8 eV were used. Neither Rydberg series nor other molecular states in NO known so far can account for the collected data. From ab initio calculations we try to obtain more information regarding the NO precursor states, and the mechanism behind the observed neutral dissociation.
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| 14. |
- Kivimäki, Antti, et al.
(författare)
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An energy resolved electron-ion coincidence study near the S 2p thresholds of the SF6 molecule
- 2003
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Ingår i: Journal of Physics B. - : IOP Publishing. - 0953-4075 .- 1361-6455. ; 36:4, s. 781-791
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Tidskriftsartikel (refereegranskat)abstract
- The fragmentation dynamics of the SF6 molecule following the excitations of S 2p electrons into unoccupied molecular orbitals has been studied using the energy-resolved electron-ion coincidence technique. Fragmentation patterns were found to depend on the particular excitation and on the electronic state of the molecular ion. The spectator resonant Auger decay at the 2p --> 6a(1g) resonance induces changes in the ion distributions as compared to direct photoionization. Furthermore, coincidence spectra related to the same Auger structure display different ion abundances at the 2t(2g) and 4e(g) shape resonances. Differences were also found in the Auger decay spectra. These findings give further support for the previously suggested many-electron character of the 4e(g) shape resonance.
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| 15. |
- Kivimäki, Antti, et al.
(författare)
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Fluorescence emission following core excitations in the water molecule
- 2006
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Ingår i: Journal of Physics B. - : IOP Publishing. - 0953-4075 .- 1361-6455. ; 39:5, s. 1101-1112
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Tidskriftsartikel (refereegranskat)abstract
- Photon-induced fluorescence spectroscopy has been used to study the fragmentation of the water molecule at the O 1s is edge. Fluorescence emission has been observed from the neutral fragments H, O and OH as well as from the ionic fragments O+ and OH+. The extracted fluorescence yields of the H Lyman-alpha emission and O 2p(3)(S-4)3p(P-3) -> 2p(3)(S-4)3s(S-3) transitions show the same structures as the total ion yield spectrum but with different relative intensities. The most intense fluorescence emission is restricted to the region of the core excitations, while above the O 1s ionization limit the signal is much weaker (in the case of H) or below the detection limit (O, OH and OH+). The fluorescence emission is concluded to follow from the following general cascade: the core-excited states decay by resonant Auger transitions, the final states reached undergo dissociation into ionic and neutral fragments, and fluorescence occurs from excited fragments. In the case of the OH (A(2)Sigma(+) -> X-2 Pi) emission, the decay of core-excited states through soft x-ray emission may also be responsible for the observed fluorescence.
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| 16. |
- Kivimäki, A., et al.
(författare)
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Observation of core-hole double excitations in water using fluorescence spectroscopy
- 2007
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Ingår i: Physical Review A. Atomic, Molecular, and Optical Physics. - 1050-2947 .- 1094-1622. ; 75:1, s. 014503-
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Tidskriftsartikel (refereegranskat)abstract
- The hydrogen Lyman-alpha, Balmer-alpha, and Balmer-beta emission has been measured from the H2O molecule at photon energies exceeding the 1s ionization threshold. Fluorescence emission is shown to be a sensitive probe to neutral core-hole doubly excited states and singly ionized 1s shake-up states that are embedded in the core ionization continuum. In addition, the photoabsorption spectrum of the water molecule in the energy range of the double excitations has been measured with better statistics than previously.
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| 17. |
- Lambert, Jean-Charles, et al.
(författare)
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The CALHM1 P86L Polymorphism is a Genetic Modifier of Age at Onset in Alzheimer's Disease : a Meta-Analysis Study
- 2010
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Ingår i: Journal of Alzheimer's Disease. - 1387-2877 .- 1875-8908. ; 22:1, s. 247-255
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Tidskriftsartikel (refereegranskat)abstract
- The only established genetic determinant of non-Mendelian forms of Alzheimer's disease (AD) is the epsilon 4 allele of the apolipoprotein E gene (APOE). Recently, it has been reported that the P86L polymorphism of the calcium homeostasis modulator 1 gene (CALHM1) is associated with the risk of developing AD. In order to independently assess this association, we performed a meta-analysis of 7,873 AD cases and 13,274 controls of Caucasian origin (from a total of 24 centers in Belgium, Finland, France, Italy, Spain, Sweden, the UK, and the USA). Our results indicate that the CALHM1 P86L polymorphism is likely not a genetic determinant of AD but may modulate age of onset by interacting with the effect of the epsilon 4 allele of the APOE gene.
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| 18. |
- Melero Garcia, Emilio, et al.
(författare)
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Fluorescence Emission of Excited Hydrogen Atoms after Core Excitation of Water Vapor
- 2006
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Ingår i: Physical Review Letters. - 0031-9007 .- 1079-7114. ; 96, s. 063003-
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Tidskriftsartikel (refereegranskat)abstract
- The Balmer emission from atomic hydrogen has been recorded across the resonances at the oxygen K edge of the water molecule using synchrotron radiation excitation. The emission is observed to be strongest at excitations to Rydberg resonances. The observations are interpreted using a qualitative model for the dynamics of the core-to-Rydberg excited molecule. The model links the quantum state of the core-excited water molecule via resonant Auger decay and subsequent dissociation to the state of the fluorescing hydrogen atom.
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| 19. |
- Melero Garcia, Emilio, et al.
(författare)
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Fluorescence study of doubly excited states of molecular hydrogen
- 2006
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Ingår i: Journal of Physics B. - : IOP Publishing. - 0953-4075 .- 1361-6455. ; 39:2, s. 205-213
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Tidskriftsartikel (refereegranskat)abstract
- Photodissociation of molecular hydrogen has been investigated by means of fluorescence spectroscopy using synchrotron radiation. Balmer-alpha emission from atomic hydrogen photofragments was collected in the 20-55 eV excitation energy range. Experimental data are interpreted in terms of excitation and fragmentation of neutral doubly excited states and excited ionic states with the aid of recent theoretical model calculation.
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| 20. |
- Mélida, Hugo, et al.
(författare)
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Deepening into the proteome of maize cells habituated to the cellulose biosynthesis inhibitor dichlobenil
- 2011
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Ingår i: Plant Signalling & Behavior. - : Informa UK Limited. - 1559-2324. ; 6:1, s. 143-146
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Tidskriftsartikel (refereegranskat)abstract
- Cellulose biosynthesis inhibitors, such as dichlobenil (DCB), have become a valuable tool for the analysis of structural and compositional plasticity of plant cell walls. By stepwise increasing the concentration of DCB in the culture medium, we obtained maize cells able to cope with DCB through the acquisition of a modified cell wall in which cellulose was partially replaced by a more extensive network of feruloylated arabinoxylans. Recently we demonstrated that the expression of several Cellulose Synthase and phenylpropanoid-related genes is altered in DCB-habituated cells. In addition, by using a proteomic approach we identified several proteins induced or repressed in DCB-habituated cells. After a more in-depth analysis, some new proteins induced (two inhibitors TAXI-IV, an α-1,4-glucan-protein synthase, and a pectinesterase inhibitor) or repressed (a chaperonin 60, a fructokinase-1 and a spermidine synthase 1) were identified, and their possible role in the context of DCB-habituation is discussed.
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| 21. |
- Mélida, Hugo, et al.
(författare)
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Unraveling the biochemical and molecular networks involved in maize cell habituation to the cellulose biosynthesis inhibitor dichlobenil
- 2010
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Ingår i: Molecular plant. - : Elsevier BV. - 1674-2052. ; 3:5, s. 842-853
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Tidskriftsartikel (refereegranskat)abstract
- The biochemical and molecular processes involved in the habituation of maize cells to growth in the presence of the cellulose biosynthesis inhibitor dichlobenil (DCB) were investigated. DCB affects the synthesis of cellulose both in active and stationary growth phases and alters the expression of several CesA genes. Of these, ZmCesA5 and ZmCesA7 seem to play a major role in habituating cells to growth in the presence of DCB. As a consequence of the reduction in cellulose, the expression of several genes involved in the synthesis of hydroxycinnamates is increased, resulting in cell walls with higher levels of ferulic and p-coumaric acids. A proteomic analysis revealed that habituation to DCB is linked to modifications in several metabolic pathways. Finally, habituated cells present a reduction in glutathione S-transferase detoxifying activity and antioxidant activities. Plant cell adaptation to the disturbance of such a crucial process as cellulose biosynthesis requires changes in several metabolic networks, in order to modify cell wall architecture and metabolism, and survive in the presence of the inhibitor. Some of these modifications are described in this paper.
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| 22. |
- Rius Riu, Jaime, et al.
(författare)
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Core-excitation-induced dissociation in CD4 after participator Auger decay
- 2003
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Ingår i: Physical Review A. Atomic, Molecular, and Optical Physics. - 1050-2947 .- 1094-1622. ; 68:2
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Tidskriftsartikel (refereegranskat)abstract
- The fragmentation of the CD4 molecule after selective ionization of the 1t(2) and 2a(1) electrons with photons from 70 to 290 eV has been studied with the energy-resolved electron-ion coincidence technique. The mass spectra acquired in coincidence with 1t(2) electrons reveal CD4+, CD3+, and CD2+ fragments, depending on the excitation energy used. The production of CD3+ is strongly enhanced after C 1s excitation to different core excited states, with respect to the production observed after direct ionization of the 1t(2) orbital. This enhancement is correlated with the changes of the molecular geometry when it relaxes from the core-excited state.
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| 23. |
- Ruiz, Jesus Alvarez, et al.
(författare)
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VUV photon induced fluorescence study of SF5CF3
- 2006
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Ingår i: Physical Chemistry, Chemical Physics - PCCP. - : Royal Society of Chemistry (RSC). - 1463-9076 .- 1463-9084. ; 8:44, s. 5199-5206
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Tidskriftsartikel (refereegranskat)abstract
- The interaction of SF5CF3 with vacuum-UV radiation has been investigated by photon induced fluorescence spectroscopy. Total fluorescence yield and dispersed fluorescence spectra of SF5CF3 were recorded in the 200-1000 nm fluorescence window. In all cases, the fluorescence spectra resemble those of CF3X (X H, F, Cl, and Br) molecules. At photon energies below 20 eV, the emission is attributed to the excited CF3 and CF2 fragments. The threshold for the CF3 emission is 10.2 +/- 0.2 eV, giving an upper limit estimate for the SF5-CF3 bond dissociation energy of 3.9 +/- 0.3 eV. The excitation functions of the CF3 and CF2 emissions were measured in the photon energy range 13.6-27.0 eV. The resonant structures observed in SF5CF3 are attributed to electronic transitions from valence to Rydberg orbitals, following similar assignments in CF3X molecules. The photoabsorption spectrum of SF5CF3 shows features at the same energies, indicating a strong contribution from Rydberg excitations.
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| 24. |
- Stankiewicz, Marek, et al.
(författare)
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Experimental station for gas phase fluorescence spectroscopy
- 2004
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Ingår i: Review of Scientific Instruments. - : AIP Publishing. - 0034-6748 .- 1089-7623. ; 75:7, s. 2402-2408
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Tidskriftsartikel (refereegranskat)abstract
- The details of an experimental setup for gas phase atomic and molecular fluorescence measurements using synchrotron radiation are described in this article. The most significant part of the apparatus is an optical arrangement, which allows for simultaneous measurements of dispersed as well as total fluorescence intensity using an effusive gas jet and an inbuilt gas cell assembled in a convenient plug and measure configuration. The first measurements concerning fluorescence of the N-2 molecule around the N 1s edge obtained with this setup are presented.
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| 25. |
- Vall-llosera, Gemma, et al.
(författare)
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The C 1s and N 1s near edge x-ray absorption fine structure spectra of five azabenzenes in the gas phase
- 2008
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Ingår i: Journal of Chemical Physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 128:4, s. 044316-1-044316-12
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Tidskriftsartikel (refereegranskat)abstract
- Near edge x-ray absorption fine structure spectra have been measured and interpreted by means of density functional theory for five different azabenzenes (pyridine, pyridazine, pyrimidine, pyrazine, and s-triazine) in the gas phase. The experimental and theoretical spectra at the N 1s and C 1s edges show a strong resonance assigned to the transition of the 1s electron in the respective N or C atoms to the lowest unoccupied molecular orbital with pi* symmetry. As opposed to the N 1s edge, at the C 1s edge this resonance is split due to the different environments of the core hole atom in the molecule. The shift in atomic core-level energy due to a specific chemical environment is explained with the higher electronegativity of the N atom compared to the C atom. The remaining resonances below the ionization potential (IP) are assigned to transitions to valence/Rydberg orbitals with mixed pi*/sigma* character. Upon N addition, a reduction of intensity is observed in the Rydberg region at both edges as compared to the intensity in the continuum. Above the IP one or more resonances are seen and ascribed here to transitions to sigma* orbitals. Calculating the experimental and theoretical Delta(pi) term values at both edges, we observe that they are almost the same within +/- 1 eV as expected for isoelectronic bonded pairs. The term values of the pi* and sigma* resonances are discussed in terms of the total Z number of the atoms participating in the bond.
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| 26. |
- Vall-llosera, Gemma, et al.
(författare)
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The npσ,π to EF emission systems in D2 studied by selective excitation
- 2005
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Ingår i: Journal of Physics B. - : IOP Publishing. - 0953-4075 .- 1361-6455. ; 38:6, s. 659-664
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Tidskriftsartikel (refereegranskat)abstract
- The np sigma 1 Sigma(u)(+) and np pi (1)Pi(u) states in D-2 have been selectively excited using monoenergetic synchrotron light in the range of 13.97-15.84 eV and the subsequent dispersed emission to the EF (1)Sigma(g)(+) state was observed using a grating spectrometer. In total, 18 emission bands from the levels n = 3-6 were studied and rotationally analysed. The intensities of the P and R branches relative to the Q branch were found to vary strongly in the np pi (1)Pi(u)(+)-EF(1)Sigma(g)(+) bands indicating the existence of predissociations of np pi (1)Pi(u)(+) levels above the dissociation limit D(1s) + D(2l).
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