| 11. |
- Cirera, Borja, et al.
(författare)
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Long-Range Orientational Self-Assembly, Spatially Controlled Deprotonation, and Off-Centered Metalation of an Expanded Porphyrin
- 2017
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Ingår i: Journal of the American Chemical Society. - : AMER CHEMICAL SOC. - 0002-7863 .- 1520-5126. ; 139:40, s. 14129-14136
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Tidskriftsartikel (refereegranskat)abstract
- Expanded porphyrins are large-cavity macro cycles with enormous potential in coordination chemistry, anion sensing, photodynamic therapy, and optoelectronics. In the last two decades, the surface science community has assessed the physicochemical properties of tetrapyrrolic-like macrocydes. However, to date, the sublimation, self-assembly and atomistic insights of expanded porphyrins on surfaces have remained elusive. Here, we show the self-assembly on Au(111) of an expanded aza-porphyrin, namely, an "expanded hemi-spatially-controlled porphyrazine", through a unique growth mechanism based on deprotonation long-range orientational self-assembly. Furthermore, a spatially controlled "writing" protocol on such self-assembled architecture is presented based on the STM tip-induced deprotonation of the inner protons of individual macrocydes. Finally, the capability of these surface-confined macrocydes to host lanthanide elements is assessed, introducing a novel off-centered coordination motif. The presented findings represent a milestone in the fields of porphyrinoid chemistry and surface science, revealing a great potential for novel surface patterning, opening new avenues for molecular level information storage, and boosting the emerging field of surface-confined coordination chemistry involving f-block elements.
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| 12. |
- Cirera, Borja, et al.
(författare)
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Thermal selectivity of intermolecular versus intramolecular reactions on surfaces
- 2016
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Ingår i: Nature Communications. - : Nature Publishing Group. - 2041-1723. ; 7:11002
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Tidskriftsartikel (refereegranskat)abstract
- On-surface synthesis is a promising strategy for engineering heteroatomic covalent nanoarchitectures with prospects in electronics, optoelectronics and photovoltaics. Here we report the thermal tunability of reaction pathways of a molecular precursor in order to select intramolecular versus intermolecular reactions, yielding monomeric or polymeric phthalocyanine derivatives, respectively. Deposition of tetra-aza-porphyrin species bearing ethyl termini on Au(111) held at room temperature results in a close-packed assembly. Upon annealing from room temperature to 275 °C, the molecular precursors undergo a series of covalent reactions via their ethyl termini, giving rise to phthalocyanine tapes. However, deposition of the tetra-aza-porphyrin derivatives on Au(111) held at 300 °C results in the formation and self-assembly of monomeric phthalocyanines. A systematic scanning tunnelling microscopy study of reaction intermediates, combined with density functional calculations, suggests a [2+2] cycloaddition as responsible for the initial linkage between molecular precursors, whereas the monomeric reaction is rationalized as an electrocyclic ring closure.
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| 13. |
- Gálvez, Antonio, et al.
(författare)
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Hybrid Models and Digital Twins for Condition Monitoring : HVAC System for Railway
- 2019
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Ingår i: EUROSIM 2019. - : ARGESIM Publisher. ; , s. 52-52
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Konferensbidrag (övrigt vetenskapligt/konstnärligt)abstract
- The passenger transportation,safety is more important than efficiency or reliability. Therefore, it is vital to maintain the proper condition of the equipment related to the passengers’ comfort and safety.This manuscriptexplainsthe methodology ofcomplete development and implementation of both hybrid model and digital twin3.0for a HVAC inrailways. The objective of this is to monitor the condition of the HVAC where it matters to the comfort and safety of the passengers in the trains. The level3.0of digital twinwill be develop for the diagnosis and prognosis of HVAC by using the hybrid modeling.The descriptionillustratedin this paper is focused on the methodology used to implement the hybrid model approach and both the need and advantages to use a hybrid model approach instead of thedata-based approach.One of the particularitiesconsidered doing the developmentwas the importanceof the safety and environmental risk whichwere included in the risk quantification of the failure modes. In train companies the maintainers replace critical components in early stages of degradation, thus, using a data-based model might loses important information and does not givegood support to manage the maintenance instructions.Developing a physicsbased-model will be able to generate synthetic data for the behavior of the components in advanced stages of degradation and combiningitwith the data-based modellead to formhybrid model with a large number of failure modes that were unpredictable. Finally,the outcome is beneficialfor the proper functioning of the systems, hence, the safety of the passengers.
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| 14. |
- González-González, Asier, et al.
(författare)
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Condition Monitoring of Wind Turbine Pitch Controller : A Maintenance Approach
- 2018
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Ingår i: Measurement. - : Elsevier. - 0263-2241 .- 1873-412X. ; 123, s. 80-93
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Tidskriftsartikel (refereegranskat)abstract
- With the increase of wind power capacity worldwide, researchers are focusing their attention on the operation and maintenance of wind turbines. A proper pitch controller must be designed to extend the life cycle of a wind turbine’s blades and tower. The pitch control system has two main, but conflicting, objectives: to maximize the wind energy captured and converted into electrical energy and to minimize fatigue and mechanical load. Four metrics have been proposed to balance these two objectives. Also, diverse pitch controller strategies are proposed in this paper to evaluate these objectives. This paper proposes a novel metrics approach to achieve the conflicting objectives with a maintenance focus. It uses a 100 kW wind turbine as a case study to simulate the proposed pitch control strategies and evaluate with the metrics proposed. The results are showed in two tables due to two different wind models are used.
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| 15. |
- Gonzalez-Jimenez, José Maria, et al.
(författare)
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Titanian clinohumite and chondrodite in antigorite serpentinites from Central Chile : evidence for deep and cold subduction
- 2017
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Ingår i: European journal of mineralogy. - : E. Schweizerbart'sche Verlagsbuchhandlung. - 0935-1221 .- 1617-4011. ; 29:6, s. 959-970
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Tidskriftsartikel (refereegranskat)abstract
- Humite minerals, including Ti-rich, hydroxyl-dominant chondrodite and clinohumite, occur in Paleozoic antigorite serpentinite in the La Cabaña area, in the Chilean Coastal Cordillera (~38° 30 ′ S–73° 15 ′ W). This may be the first report from South America. Humite minerals are intergrown with Mn-rich olivine hosting antigorite blades in textural equilibrium, indicating a metamorphic origin. A comparison with previous results from piston-cylinder experiments and petrological studies of other high-P serpentinites constrains the formation conditions of the humite + olivine + antigorite assemblage to ca. 2.0–2.5 GPa and <600°C. Thus, the assemblage is interpreted as having formed during cold subduction of a segment of oceanic lithosphere to a depth >60 km, suggesting that the Paleozoic serpentinites were entrained into the mantle at higher P– T conditions than those experienced by the spatially associated olivine–lizardite metadunites and enclosing metasedimentary rocks (subducted to < 30 km). During exhumation along the subduction channel, high- P serpentinites together with metadunites underwent tectonic mingling with metasediments of the accretionary prism, preserving their signature of distinct metamorphic trajectories. This could be similar to the tectonic evolution of blueschists and high-P amphibolites found as isolated blocks in the metasediments of the Chilean Coastal Cordillera.
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| 16. |
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| 17. |
- Mokdad, Ali H., et al.
(författare)
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Diabetes mellitus and chronic kidney disease in the Eastern Mediterranean Region : findings from the Global Burden of Disease 2015 study
- 2018
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Ingår i: International Journal of Public Health. - : SPRINGER BASEL AG. - 1661-8556 .- 1661-8564. ; 63, s. 177-186
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Tidskriftsartikel (refereegranskat)abstract
- We used findings from the Global Burden of Disease 2015 study to update our previous publication on the burden of diabetes and chronic kidney disease due to diabetes (CKD-DM) during 1990-2015. We extracted GBD 2015 estimates for prevalence, mortality, and disability-adjusted life years (DALYs) of diabetes (including burden of low vision due to diabetes, neuropathy, and amputations and CKD-DM for 22 countries of the EMR from the GBD visualization tools. In 2015, 135,230 (95% UI 123,034-148,184) individuals died from diabetes and 16,470 (95% UI 13,977-18,961) from CKD-DM, 216 and 179% increases, respectively, compared to 1990. The total number of people with diabetes was 42.3 million (95% UI 38.6-46.4 million) in 2015. DALY rates of diabetes in 2015 were significantly higher than the expected rates based on Socio-demographic Index (SDI). Our study showed a large and increasing burden of diabetes in the region. There is an urgency in dealing with diabetes and its consequences, and these efforts should be at the forefront of health prevention and promotion.
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| 18. |
- Wang, Haidong, et al.
(författare)
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Global, regional, and national life expectancy, all-cause mortality, and cause-specific mortality for 249 causes of death, 1980-2015 : a systematic analysis for the Global Burden of Disease Study 2015
- 2016
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Ingår i: The Lancet. - 0140-6736 .- 1474-547X. ; 388:10053, s. 1459-1544
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Tidskriftsartikel (refereegranskat)abstract
- BACKGROUND: Improving survival and extending the longevity of life for all populations requires timely, robust evidence on local mortality levels and trends. The Global Burden of Disease 2015 Study (GBD 2015) provides a comprehensive assessment of all-cause and cause-specific mortality for 249 causes in 195 countries and territories from 1980 to 2015. These results informed an in-depth investigation of observed and expected mortality patterns based on sociodemographic measures.METHODS: We estimated all-cause mortality by age, sex, geography, and year using an improved analytical approach originally developed for GBD 2013 and GBD 2010. Improvements included refinements to the estimation of child and adult mortality and corresponding uncertainty, parameter selection for under-5 mortality synthesis by spatiotemporal Gaussian process regression, and sibling history data processing. We also expanded the database of vital registration, survey, and census data to 14 294 geography-year datapoints. For GBD 2015, eight causes, including Ebola virus disease, were added to the previous GBD cause list for mortality. We used six modelling approaches to assess cause-specific mortality, with the Cause of Death Ensemble Model (CODEm) generating estimates for most causes. We used a series of novel analyses to systematically quantify the drivers of trends in mortality across geographies. First, we assessed observed and expected levels and trends of cause-specific mortality as they relate to the Socio-demographic Index (SDI), a summary indicator derived from measures of income per capita, educational attainment, and fertility. Second, we examined factors affecting total mortality patterns through a series of counterfactual scenarios, testing the magnitude by which population growth, population age structures, and epidemiological changes contributed to shifts in mortality. Finally, we attributed changes in life expectancy to changes in cause of death. We documented each step of the GBD 2015 estimation processes, as well as data sources, in accordance with Guidelines for Accurate and Transparent Health Estimates Reporting (GATHER).FINDINGS: Globally, life expectancy from birth increased from 61·7 years (95% uncertainty interval 61·4-61·9) in 1980 to 71·8 years (71·5-72·2) in 2015. Several countries in sub-Saharan Africa had very large gains in life expectancy from 2005 to 2015, rebounding from an era of exceedingly high loss of life due to HIV/AIDS. At the same time, many geographies saw life expectancy stagnate or decline, particularly for men and in countries with rising mortality from war or interpersonal violence. From 2005 to 2015, male life expectancy in Syria dropped by 11·3 years (3·7-17·4), to 62·6 years (56·5-70·2). Total deaths increased by 4·1% (2·6-5·6) from 2005 to 2015, rising to 55·8 million (54·9 million to 56·6 million) in 2015, but age-standardised death rates fell by 17·0% (15·8-18·1) during this time, underscoring changes in population growth and shifts in global age structures. The result was similar for non-communicable diseases (NCDs), with total deaths from these causes increasing by 14·1% (12·6-16·0) to 39·8 million (39·2 million to 40·5 million) in 2015, whereas age-standardised rates decreased by 13·1% (11·9-14·3). Globally, this mortality pattern emerged for several NCDs, including several types of cancer, ischaemic heart disease, cirrhosis, and Alzheimer's disease and other dementias. By contrast, both total deaths and age-standardised death rates due to communicable, maternal, neonatal, and nutritional conditions significantly declined from 2005 to 2015, gains largely attributable to decreases in mortality rates due to HIV/AIDS (42·1%, 39·1-44·6), malaria (43·1%, 34·7-51·8), neonatal preterm birth complications (29·8%, 24·8-34·9), and maternal disorders (29·1%, 19·3-37·1). Progress was slower for several causes, such as lower respiratory infections and nutritional deficiencies, whereas deaths increased for others, including dengue and drug use disorders. Age-standardised death rates due to injuries significantly declined from 2005 to 2015, yet interpersonal violence and war claimed increasingly more lives in some regions, particularly in the Middle East. In 2015, rotaviral enteritis (rotavirus) was the leading cause of under-5 deaths due to diarrhoea (146 000 deaths, 118 000-183 000) and pneumococcal pneumonia was the leading cause of under-5 deaths due to lower respiratory infections (393 000 deaths, 228 000-532 000), although pathogen-specific mortality varied by region. Globally, the effects of population growth, ageing, and changes in age-standardised death rates substantially differed by cause. Our analyses on the expected associations between cause-specific mortality and SDI show the regular shifts in cause of death composition and population age structure with rising SDI. Country patterns of premature mortality (measured as years of life lost [YLLs]) and how they differ from the level expected on the basis of SDI alone revealed distinct but highly heterogeneous patterns by region and country or territory. Ischaemic heart disease, stroke, and diabetes were among the leading causes of YLLs in most regions, but in many cases, intraregional results sharply diverged for ratios of observed and expected YLLs based on SDI. Communicable, maternal, neonatal, and nutritional diseases caused the most YLLs throughout sub-Saharan Africa, with observed YLLs far exceeding expected YLLs for countries in which malaria or HIV/AIDS remained the leading causes of early death.INTERPRETATION: At the global scale, age-specific mortality has steadily improved over the past 35 years; this pattern of general progress continued in the past decade. Progress has been faster in most countries than expected on the basis of development measured by the SDI. Against this background of progress, some countries have seen falls in life expectancy, and age-standardised death rates for some causes are increasing. Despite progress in reducing age-standardised death rates, population growth and ageing mean that the number of deaths from most non-communicable causes are increasing in most countries, putting increased demands on health systems.
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