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| 2. |
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- 2019
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Tidskriftsartikel (refereegranskat)
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| 3. |
- Gerasimov, Ilya E., et al.
(författare)
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Methyl-3-hexenoate combustion chemistry : Experimental study and numerical kinetic simulation
- 2020
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Ingår i: Combustion and Flame. - : Elsevier BV. - 0010-2180. ; 222, s. 170-180
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Tidskriftsartikel (refereegranskat)abstract
- This work represents a detailed investigation of combustion and oxidation of methyl-3-hexenoate (CAS Number 2396-78-3), including experimental studies of combustion and oxidation characteristics, quantum chemistry calculations and kinetic model refinement. Following experiments have been carried out: Speciation measurements during oxidation in a jet-stirred reactor at 1 atm; chemical speciation measurements in a stoichiometric premixed flame at 1 atm using molecular-beam mass-spectrometry; ignition delay times measurements in a shock tube at 20 and 40 bar; and laminar burning velocity measurements at 1 atm using a heat-flux burner over a range of equivalence ratios. An updated detailed chemical kinetic mechanism for methyl-3-hexenoate combustion based on previous studies was proposed and validated against the novel experimental data and the relevant data available in literature with satisfactory agreement. Sensitivity and reaction pathway analyses were performed to show main decomposition pathways of methyl-3-hexenoate and underline possible sources of disagreements between experiments and simulations.
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| 4. |
- Konnov, Alexander A., et al.
(författare)
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Combustion chemistry of methoxymethanol. Part II : Laminar flames of methanol+formaldehyde fuel mixtures
- 2021
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Ingår i: Combustion and Flame. - : Elsevier BV. - 0010-2180. ; 229
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Tidskriftsartikel (refereegranskat)abstract
- In the present study, the laminar burning velocities of mixtures of up to 16.4% (mol) formaldehyde in methanol, burning with air, were determined at atmospheric pressure using the heat flux method covering lean, stoichiometric and rich flames at initial gas mixture temperatures of 298, 318 and 338 K. Results published in the literature indicate that evaporation of CH2O+CH3OH fuel blends should lead to a gaseous mixture of formaldehyde, methanol and methoxymethanol, although the composition of these components in the gas phase was not well defined. To interpret the measurements performed in the present study, the detailed kinetic model developed by the group of Konnov was used. The recently updated mechanism was further extended by the reactions of methoxymethanol with the rate constants calculated in Part I of the present study. A comparison of the predictions of this mechanism with the new experimental data indicated that between 40% and 60% of CH2O present in the investigated CH2O+CH3OH mixtures were at 473 K evaporated as gaseous formaldehyde monomer, while the rest was released within CH3OCH2OH. Laminar burning velocity results suggest partial condensation of methoxymethanol in the CH3OH+CH2O fuel mixture with 5.84% formaldehyde at rich conditions and 298 K. These observations allowed evaluation of the partial pressure of CH3OCH2OH which was found to be between 0.35 and 0.52 kPa. The sensitivity and rate-of-production analyses revealed that the reduced reactivity with the increased amount of methoxymethanol in the fuel mixtures is explained by the conversion of CH3OCH2OH to CH3OCHOH radicals due to favored H-abstraction from the secondary hydrogen atoms predicted by ab initio calculations compared to other sites of methoxymethanol. Hydroxyl-methoxyl-methyl radicals further decompose forming slowly reacting formic acid and methyl radicals.
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| 5. |
- Kristan, Matej, et al.
(författare)
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The Visual Object Tracking VOT2017 challenge results
- 2017
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Ingår i: 2017 IEEE INTERNATIONAL CONFERENCE ON COMPUTER VISION WORKSHOPS (ICCVW 2017). - : IEEE. - 9781538610343 ; , s. 1949-1972
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Konferensbidrag (refereegranskat)abstract
- The Visual Object Tracking challenge VOT2017 is the fifth annual tracker benchmarking activity organized by the VOT initiative. Results of 51 trackers are presented; many are state-of-the-art published at major computer vision conferences or journals in recent years. The evaluation included the standard VOT and other popular methodologies and a new "real-time" experiment simulating a situation where a tracker processes images as if provided by a continuously running sensor. Performance of the tested trackers typically by far exceeds standard baselines. The source code for most of the trackers is publicly available from the VOT page. The VOT2017 goes beyond its predecessors by (i) improving the VOT public dataset and introducing a separate VOT2017 sequestered dataset, (ii) introducing a realtime tracking experiment and (iii) releasing a redesigned toolkit that supports complex experiments. The dataset, the evaluation kit and the results are publicly available at the challenge website(1).
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| 6. |
- Luo, Yifei, et al.
(författare)
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Technology Roadmap for Flexible Sensors
- 2023
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Ingår i: ACS Nano. - : American Chemical Society. - 1936-0851 .- 1936-086X. ; 17:6, s. 5211-5295
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Forskningsöversikt (refereegranskat)abstract
- Humans rely increasingly on sensors to address grand challenges and to improve quality of life in the era of digitalization and big data. For ubiquitous sensing, flexible sensors are developed to overcome the limitations of conventional rigid counterparts. Despite rapid advancement in bench-side research over the last decade, the market adoption of flexible sensors remains limited. To ease and to expedite their deployment, here, we identify bottlenecks hindering the maturation of flexible sensors and propose promising solutions. We first analyze challenges in achieving satisfactory sensing performance for real-world applications and then summarize issues in compatible sensor-biology interfaces, followed by brief discussions on powering and connecting sensor networks. Issues en route to commercialization and for sustainable growth of the sector are also analyzed, highlighting environmental concerns and emphasizing nontechnical issues such as business, regulatory, and ethical considerations. Additionally, we look at future intelligent flexible sensors. In proposing a comprehensive roadmap, we hope to steer research efforts towards common goals and to guide coordinated development strategies from disparate communities. Through such collaborative efforts, scientific breakthroughs can be made sooner and capitalized for the betterment of humanity.
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| 7. |
- Sampson, Joshua N., et al.
(författare)
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Analysis of Heritability and Shared Heritability Based on Genome-Wide Association Studies for 13 Cancer Types
- 2015
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Ingår i: Journal of the National Cancer Institute. - : Oxford University Press (OUP). - 0027-8874 .- 1460-2105. ; 107:12
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Tidskriftsartikel (refereegranskat)abstract
- Background: Studies of related individuals have consistently demonstrated notable familial aggregation of cancer. We aim to estimate the heritability and genetic correlation attributable to the additive effects of common single-nucleotide polymorphisms (SNPs) for cancer at 13 anatomical sites. Methods: Between 2007 and 2014, the US National Cancer Institute has generated data from genome-wide association studies (GWAS) for 49 492 cancer case patients and 34 131 control patients. We apply novel mixed model methodology (GCTA) to this GWAS data to estimate the heritability of individual cancers, as well as the proportion of heritability attributable to cigarette smoking in smoking-related cancers, and the genetic correlation between pairs of cancers. Results: GWAS heritability was statistically significant at nearly all sites, with the estimates of array-based heritability, h(l)(2), on the liability threshold (LT) scale ranging from 0.05 to 0.38. Estimating the combined heritability of multiple smoking characteristics, we calculate that at least 24% (95% confidence interval [CI] = 14% to 37%) and 7% (95% CI = 4% to 11%) of the heritability for lung and bladder cancer, respectively, can be attributed to genetic determinants of smoking. Most pairs of cancers studied did not show evidence of strong genetic correlation. We found only four pairs of cancers with marginally statistically significant correlations, specifically kidney and testes (rho = 0.73, SE = 0.28), diffuse large B-cell lymphoma (DLBCL) and pediatric osteosarcoma (rho = 0.53, SE = 0.21), DLBCL and chronic lymphocytic leukemia (CLL) (rho = 0.51, SE = 0.18), and bladder and lung (rho = 0.35, SE = 0.14). Correlation analysis also indicates that the genetic architecture of lung cancer differs between a smoking population of European ancestry and a nonsmoking Asian population, allowing for the possibility that the genetic etiology for the same disease can vary by population and environmental exposures. Conclusion: Our results provide important insights into the genetic architecture of cancers and suggest new avenues for investigation.
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| 8. |
- Sun, Jingwu, et al.
(författare)
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From electronic structure to combustion model application for acrolein chemistry Part Ⅱ : Acrolein + HȮ2 reactions and the development of acrolein sub-mechanism
- 2023
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Ingår i: Combustion and Flame. - : Elsevier BV. - 0010-2180. ; 251
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Tidskriftsartikel (refereegranskat)abstract
- Acrolein, as one of the most hazardous aldehydes, can be formed among the carbonyls from the combustion of bio-fuels or mixtures of bio- and conventional fuels. Moreover, acrolein is also an important combustion intermediate in the oxidations of higher unsaturated hydrocarbons. A deep understanding of acrolein combustion chemistry will be useful for the kinetic modeling of higher hydrocarbons and ultimately practical fuels, with the acrolein reaction subset expected to be an important building block. In this work, the reaction system of acrolein + HȮ2, which is critical in controlling the reactivity of acrolein at low to intermediate temperatures (800–1000 K), was theoretically studied. Subsequently, by lumping the data calculated in this study, its companion work on the reaction system of acrolein + Ḣ in Part Ⅰ, other related high precision theoretical calculation studies and the relevant data estimated in the trusted models, a detailed chemical kinetic sub-mechanism has been developed to describe the directly related combustion reactions of acrolein. The kinetic, thermodynamic and transport data in the acrolein sub-mechanism were used to update and develop the base mechanism, AramcoMech 3.0. The updated model was then validated against ignition delay times (IDT) of acrolein measured in shock tube by Chatelain et al. [Fuel 135 (2014) 498], burning velocity of acrolein measured by Gibbs and Calcote [J. Chem. Engineer. Data 4 (1959) 226], species profiles from jet-stirred reactor for propene oxidation presented by Burke et al. [Combustion and Flame 161 (2014) 2765].
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| 9. |
- Sun, Jingwu, et al.
(författare)
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From electronic structure to combustion model application for acrolein chemistry part I : Acrolein + H reactions and related chemistry
- 2022
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Ingår i: Combustion and Flame. - : Elsevier BV. - 0010-2180. ; 240
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Tidskriftsartikel (refereegranskat)abstract
- Detailed reaction kinetics of acrolein + H and related chemistry and its influence on the ignition delay time prediction of acrolein has been studied theoretically in this work. The geometry optimization and vibrational frequency calculations for every stationary point were performed at the BH&HLYP/6–311++G(d,p) level of theory, with one-dimensional hindered rotation treatments applied for low-frequency torsional modes determined by using BH&HLYP/6–31G(d). Electronic energies for all species were calculated at the ROCCSD(T)/cc-pVQ,TZ levels of theory. The kinetics and thermochemistry data were calculated and compared with existing literature results, where good agreement was observed. The branching ratios of the crucial products vary in the pressure range of 0.01–100 atm and temperatures from 298 to 2000 K. Taking 1 atm as an example, at temperatures above 1000 K, the main addition reaction products of acrolein + H are ethylene + formyl radical, while at lower temperatures, the formation of the resonantly stabilized radical, CH3ĊHCHO, is important. The dominant H-atom abstraction reaction channel by H atom proceeds at the α carbon atom of the aldehyde group of acrolein. However, the H-atom abstraction reactions are overwhelmed by the addition reactions. Decomposition reactions of four C3H3O radicals were calculated and analysed. Temperature-dependent thermochemical properties for all species in the reaction system and the pressure-dependent rate constants for each reaction pathway were incorporated into two acrolein combustion kinetic mechanisms, as well as two widely used mechanisms, AramcoMech 3.0 and JetSurF 2.0, to test the influence of the newly calculated data on acrolein oxidation. Some critical reactions for acrolein oxidation were highlighted by performing sensitivity and flux analyses.
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| 10. |
- Wang, Zhaoming, et al.
(författare)
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Imputation and subset-based association analysis across different cancer types identifies multiple independent risk loci in the TERT-CLPTM1L region on chromosome 5p15.33
- 2014
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Ingår i: Human Molecular Genetics. - : Oxford University Press (OUP). - 0964-6906 .- 1460-2083. ; 23:24, s. 6616-6633
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Tidskriftsartikel (refereegranskat)abstract
- Genome-wide association studies (GWAS) have mapped risk alleles for at least 10 distinct cancers to a small region of 63 000 bp on chromosome 5p15.33. This region harbors the TERT and CLPTM1L genes; the former encodes the catalytic subunit of telomerase reverse transcriptase and the latter may play a role in apoptosis. To investigate further the genetic architecture of common susceptibility alleles in this region, we conducted an agnostic subset-based meta-analysis (association analysis based on subsets) across six distinct cancers in 34 248 cases and 45 036 controls. Based on sequential conditional analysis, we identified as many as six independent risk loci marked by common single-nucleotide polymorphisms: five in the TERT gene (Region 1: rs7726159, P = 2.10 × 10(-39); Region 3: rs2853677, P = 3.30 × 10(-36) and PConditional = 2.36 × 10(-8); Region 4: rs2736098, P = 3.87 × 10(-12) and PConditional = 5.19 × 10(-6), Region 5: rs13172201, P = 0.041 and PConditional = 2.04 × 10(-6); and Region 6: rs10069690, P = 7.49 × 10(-15) and PConditional = 5.35 × 10(-7)) and one in the neighboring CLPTM1L gene (Region 2: rs451360; P = 1.90 × 10(-18) and PConditional = 7.06 × 10(-16)). Between three and five cancers mapped to each independent locus with both risk-enhancing and protective effects. Allele-specific effects on DNA methylation were seen for a subset of risk loci, indicating that methylation and subsequent effects on gene expression may contribute to the biology of risk variants on 5p15.33. Our results provide strong support for extensive pleiotropy across this region of 5p15.33, to an extent not previously observed in other cancer susceptibility loci.
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| 11. |
- Zhu, Yuxiang, et al.
(författare)
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Combustion chemistry of methoxymethanol. Part I : Chemical kinetics of hydrogen-abstraction reactions and the unimolecular reactions of the product [C2H5O2] radicals
- 2021
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Ingår i: Combustion and Flame. - : Elsevier BV. - 0010-2180. ; 229
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Tidskriftsartikel (refereegranskat)abstract
- The reaction kinetics of hydrogen-abstraction reactions from methoxymethanol (CH3OCH2OH) by hydrogen (Ḣ) atom, hydroxyl (ȮH), hydroperoxyl (HȮ2), methyl (ĊH3) and methoxyl (CH3Ȯ) radicals, and decomposition of the related hydroxyl-methoxyl-methyl (CH3OĊHOH), hydroxymethoxyl-methyl (ĊH2OCH2OH) and methoxyl-methoxy (CH3OCH2Ȯ) radicals, have been investigated in this study through high-level ab initio calculations. The stationary points of the potential energy surfaces have been determined at the CCSD(T)/aug-cc-pVTZ level of theory corrected by MP2/aug-cc-pVT,QZ methods, based on the optimized geometries obtained from BHandHLYP/6–311++G(d,p) method. Rate constants at temperatures from 300 to 2000 K for H-abstraction reactions by Ḣ atom, HȮ2, ĊH3 and CH3Ȯ radicals have been obtained using conventional transition state theory (TST), while those for H-abstraction reactions by ȮH radical have been calculated employing variation transition state theory (VTST). It is found that the H-abstraction reactions from the secondary carbon atom of methoxymethanol are the most favored pathways. Total rate constants for H-abstraction reactions by ȮH radical are the fastest among the title H-abstraction reactions at temperatures below 1000 K, while H-abstraction reactions by Ḣ atom are more competitive at temperatures above 1200 K. Pressure-dependent rate constants at temperatures in the range of 300–2000 K and at pressures from 0.01 to 100 atm for the unimolecular reactions of CH3OĊHOH, ĊH2OCH2OH and CH3OCH2Ȯ radicals have been obtained from Rice-Ramsperger-Kassel-Marcus/Master Equation (RRKM/ME) calculations. Temperature-dependent thermochemical properties for methoxymethanol and related radicals have been computed using a combination of composite methods.
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