| 1. |
- Ching, Tao-Chung, et al.
(författare)
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The JCMT BISTRO-2 Survey: Magnetic Fields of the Massive DR21 Filament
- 2022
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Ingår i: Astrophysical Journal. - : American Astronomical Society. - 1538-4357 .- 0004-637X. ; 941:2
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Tidskriftsartikel (refereegranskat)abstract
- We present 850 mu m dust polarization observations of the massive DR21 filament from the B-fields In STar-forming Region Observations (BISTRO) survey, using the POL-2 polarimeter and the SCUBA-2 camera on the James Clerk Maxwell Telescope. We detect ordered magnetic fields perpendicular to the parsec-scale ridge of the DR21 main filament. In the subfilaments, the magnetic fields are mainly parallel to the filamentary structures and smoothly connect to the magnetic fields of the main filament. We compare the POL-2 and Planck dust polarization observations to study the magnetic field structures of the DR21 filament on 0.1-10 pc scales. The magnetic fields revealed in the Planck data are well-aligned with those of the POL-2 data, indicating a smooth variation of magnetic fields from large to small scales. The plane-of-sky magnetic field strengths derived from angular dispersion functions of dust polarization are 0.6-1.0 mG in the DR21 filament and similar to 0.1 mG in the surrounding ambient gas. The mass-to-flux ratios are found to be magnetically supercritical in the filament and slightly subcritical to nearly critical in the ambient gas. The alignment between column density structures and magnetic fields changes from random alignment in the low-density ambient gas probed by Planck to mostly perpendicular in the high-density main filament probed by James Clerk Maxwell Telescope. The magnetic field structures of the DR21 filament are in agreement with MHD simulations of a strongly magnetized medium, suggesting that magnetic fields play an important role in shaping the DR21 main filament and subfilaments.
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| 2. |
- Karoly, Janik, et al.
(författare)
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The JCMT BISTRO Survey: Studying the Complex Magnetic Field of L43
- 2023
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Ingår i: Astrophysical Journal. - 1538-4357 .- 0004-637X. ; 952:1
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Tidskriftsartikel (refereegranskat)abstract
- We present observations of polarized dust emission at 850 mu m from the L43 molecular cloud, which sits in the Ophiuchus cloud complex. The data were taken using SCUBA-2/POL-2 on the James Clerk Maxwell Telescope as a part of the BISTRO large program. L43 is a dense (N-H2 similar to 10(22) - 10(23) cm(-2)) complex molecular cloud with a submillimeter-bright starless core and two protostellar sources. There appears to be an evolutionary gradient along the isolated filament that L43 is embedded within, with the most evolved source closest to the Sco OB2 association. One of the protostars drives a CO outflow that has created a cavity to the southeast. We see a magnetic field that appears to be aligned with the cavity walls of the outflow, suggesting interaction with the outflow. We also find a magnetic field strength of up to similar to 160 +/- 30 mu G in the main starless core and up to similar to 90 +/- 40 mu G in the more diffuse, extended region. These field strengths give magnetically super- and subcritical values, respectively, and both are found to be roughly trans-Alfvenic. We also present a new method of data reduction for these denser but fainter objects like starless cores.
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| 3. |
- Kwon, Woojin, et al.
(författare)
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B-fields in Star-forming Region Observations (BISTRO): Magnetic Fields in the Filamentary Structures of Serpens Main
- 2022
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Ingår i: Astrophysical Journal. - : American Astronomical Society. - 1538-4357 .- 0004-637X. ; 926:2
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Tidskriftsartikel (refereegranskat)abstract
- We present 850 mu m polarimetric observations toward the Serpens Main molecular cloud obtained using the POL-2 polarimeter on the James Clerk Maxwell Telescope as part of the B-fields In STar-forming Region Observations survey. These observations probe the magnetic field morphology of the Serpens Main molecular cloud on about 6000 au scales, which consists of cores and six filaments with different physical properties such as density and star formation activity. Using the histogram of relative orientation (HRO) technique, we find that magnetic fields are parallel to filaments in less-dense filamentary structures where NH2 < 0.93 x 10(22) cm(-2) (magnetic fields perpendicular to density gradients), while they are perpendicular to filaments (magnetic fields parallel to density gradients) in dense filamentary structures with star formation activity. Moreover, applying the HRO technique to denser core regions, we find that magnetic field orientations change to become perpendicular to density gradients again at NH2 approximate to 4.6 x 10(22) NH2 approximate to 16 x 10(22) cm(-2), magnetic fields change back to being parallel to density gradients once again, which can be understood to be due to magnetic fields being dragged in by infalling material. In addition, we estimate the magnetic field strengths of the filaments (B-POS = 60-300 mu G)) using the Davis-Chandrasekhar-Fermi method and discuss whether the filaments are gravitationally unstable based on magnetic field and turbulence energy densities.
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| 4. |
- Bu, Junling, et al.
(författare)
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Catalytic promiscuity of O-methyltransferases from Corydalis yanhusuo leading to the structural diversity of benzylisoquinoline alkaloids
- 2022
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Ingår i: Horticulture Research. - : Oxford University Press (OUP). - 2662-6810 .- 2052-7276. ; 9
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Tidskriftsartikel (refereegranskat)abstract
- O-methyltransferases play essential roles in producing structural diversity and improving the biological properties of benzylisoquinoline alkaloids (BIAs) in plants. In this study, Corydalis yanhusuo, a plant used in traditional Chinese medicine due to the analgesic effects of its BIA-active compounds, was employed to analyze the catalytic characteristics of O-methyltransferases in the formation of BIA diversity. Seven genes encoding O-methyltransferases were cloned, and functionally characterized using seven potential BIA substrates. Specifically, an O-methyltransferase (CyOMT2) with highly efficient catalytic activity of both 4′- and 6-O-methylations of 1-BIAs was found. CyOMT6 was found to perform two sequential methylations at both 9- and 2-positions of the essential intermediate of tetrahydroprotoberberines, (S)-scoulerine. Two O-methyltransferases (CyOMT5 and CyOMT7) with wide substrate promiscuity were found, with the 2-position of tetrahydroprotoberberines as the preferential catalytic site for CyOMT5 (named scoulerine 2-O-methyltransferase) and the 6-position of 1-BIAs as the preferential site for CyOMT7. In addition, results of integrated phylogenetic molecular docking analysis and site-directed mutation suggested that residues at sites 172, 306, 313, and 314 in CyOMT5 are important for enzyme promiscuity related to O-methylations at the 6- and 7-positions of isoquinoline. Cys at site 253 in CyOMT2 was proved to promote the methylation activity of the 6-position and to expand substrate scopes. This work provides insight into O-methyltransferases in producing BIA diversity in C. yanhusuo and genetic elements for producing BIAs by metabolic engineering and synthetic biology.
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| 5. |
- Chen, Aifang, 1990, et al.
(författare)
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Rising future tropical cyclone-induced extreme winds in the Mekong River Basin
- 2020
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Ingår i: Science Bulletin. - : Elsevier BV. - 2095-9273 .- 2095-9281. ; 65:5, s. 419-424
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Tidskriftsartikel (refereegranskat)abstract
- © 2019 Science China Press The societal impact of extreme winds induced by tropical cyclones (TCs) is a major concern in the Mekong River Basin (MRB). Though no clear trend of landfalling TC intensity along the Vietnam coastline has been observed since the 1970s, climate models project an increasing TC intensity in the 21st century over the Western North Pacific, which is the primary TC source region influencing the MRB. Yet, how future TC activities will affect extreme winds quantitatively in the MRB remains unclear. By employing a novel dynamical downscaling technique using a specialized, coupled ocean-atmospheric model, shorter return periods of maximum wind speed in the MRB for 2081–2100 compared with 1981–2000 are projected based on five global climate models under the RCP8.5 scenario, suggesting increases in the future tropical cyclone intensity. The results point to consistently elevated future TC-related risks that may jeopardize sustainable development, disrupt food supply, and exacerbate conflicts in the region and beyond.
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| 6. |
- Javed, Rida, et al.
(författare)
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Enhancement mechanism of P dopant on atomically distributed FeN 4 P-C electrocatalyst over a wide pH range
- 2022
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Ingår i: Electrochimica Acta. - : Elsevier BV. - 0013-4686. ; 436
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Tidskriftsartikel (refereegranskat)abstract
- Heteroatom doping plays an essential role in improving the catalytic performance of electrocatalysts for oxygen reduction reaction (ORR). However, how to regulate heteroatom doping remains a significant challenge. This paper develops an efficient strategy by using a novel versatile chelating ligand to enhance P loading and expose more metal single Fe atom active sites of FeN4P-C catalyst. The electron distribution of active center is considerably changed by P doping, which significantly influences the catalytic ORR performance. The dopant P in the FeN4P-C catalyst induces a small number of d-electrons from t2g-orbitals around the Fermi level, making the interaction between Fe active site and O2 slightly more robust than in the FeN4[sbnd]C catalyst, as studied by DFT calculations. The as-prepared FeN4P-C catalyst exhibits excellent catalytic ORR activity in both acidic (with a half-wave potential of 0.760 V vs. RHE) and basic (with a half-wave potential of 0.885 V vs. RHE) conditions, which are superior to those of the commercial Pt/C (20 wt%) catalyst. Furthermore, this catalyst also demonstrates outstanding stability and good hydrogen peroxide and methanol tolerance. A Zinc-air battery(ZAB) assembled using the cathode catalyst has validated the high performance of this catalyst. This study provides an efficient method for generating well-defined single-atom active sites to improve catalytic performance and paves the way to identify coordinated single metal atom sites for electrocatalysis applications.
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| 7. |
- Jørgensen, Mikkel, 1990, et al.
(författare)
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Monte Carlo Potential Energy Sampling for Molecular Entropy in Zeolites
- 2018
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Ingår i: Journal of Physical Chemistry C. - : American Chemical Society (ACS). - 1932-7447 .- 1932-7455. ; 122:35, s. 20351-20357
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Tidskriftsartikel (refereegranskat)abstract
- Zeolites are widely applied as molecular sieves and porous host materials for active sites in heterogeneous catalysis. Adsorption and reaction kinetics depend critically on the molecular entropy in the zeolite. In this work, we introduce a method to calculate the entropy of molecules in zeolites using Monte Carlo integration of the semiclassical partition function. The method is demonstrated for N-2 and CH4 in chabazite and MFI silicalites. We find that the molecular entropy is lowered by a factor between 1/3 and 1/2 with respect to the gas-phase value. The results are corroborated by explicit molecular dynamics simulations revealing the active molecular degrees of freedom. The possibility of accurate entropy estimations opens up for an improved description of catalytic reactions and sorption phenomena in zeolites.
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| 8. |
- Zhang, Pimin, 1990-, et al.
(författare)
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Effects of surface finish on the initial oxidation of HVAF-sprayed NiCoCrAlY coatings
- 2019
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Ingår i: Surface & Coatings Technology. - Elsevier : Elsevier BV. - 0257-8972 .- 1879-3347. ; 364, s. 43-56
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Tidskriftsartikel (refereegranskat)abstract
- Oxide scale formed on HVAF-sprayed NiCoCrAlY coatings and the effect of surface treatment were investigated by a multi-approach study combining photo-stimulated luminescence, microstructural observation and mass gain. The initial oxidationbehaviour of as-sprayed, polished and shot-peened coatings at 1000 °C is studied. Both polished and shot-peened coatings exhibited superior performance due to rapid formation of α-Al2O3 fully covering the coating and suppressing the growth of transient alumina, assisted by a high density of α-Al2O3 nuclei on surface treatment induced defects. Moreover, the fast development of a two-layer alumina scale consisting of an inward-grown inner α-Al2O3 layer and an outer layer transformed from outward-grown transient alumina resulted in a higher oxide growth rate of the as-sprayed coating.
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| 9. |
- Chen, Lin, 1990, et al.
(författare)
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A comparative test of different density functionals for calculations of NH3-SCR over Cu-Chabazite
- 2019
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Ingår i: Physical Chemistry Chemical Physics. - : Royal Society of Chemistry (RSC). - 1463-9084 .- 1463-9076. ; 21:21, s. 10923-10930
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Tidskriftsartikel (refereegranskat)abstract
- A general challenge in density functional theory calculations is to simultaneously account for different types of bonds. One such example is reactions in zeolites where both van der Waals and chemical bonds should be described accurately. Here, we use different exchange-correlation functionals to explore O2 dissociation over pairs of Cu(NH3)2+ complexes in Cu-Chabazite. This is an important part of selective catalytic reduction of NOx using NH3 as a reducing agent. The investigated functionals are PBE, PBE+U, PBE+D, PBE+U+D, PBE-cx, BEEF and HSE06+D. We find that the potential energy landscape for O2 activation and dissociation depends critically on the choice of functional. However, the van der Waals contributions are similarly described by the functionals accounting for this interaction. The discrepancies in the potential energy surface are instead related to different descriptions of the Cu-O chemical bond. By investigating the electronic, structural and energetic properties of reference systems including bulk copper oxides and (Cu2O2)2+ enzymatic crystals, we find that the PBE+U approach together with van der Waals corrections provides a reasonable simultaneous accuracy of the different bonds in the systems.
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| 10. |
- Chen, Lin, 1990, et al.
(författare)
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A Complete Multisite Reaction Mechanism for Low-Temperature NH3-SCR over Cu-CHA
- 2020
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Ingår i: ACS Catalysis. - : American Chemical Society (ACS). - 2155-5435. ; 10:10, s. 5646-5656
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Tidskriftsartikel (refereegranskat)abstract
- The dynamic character of the active centers has made it difficult to unravel the reaction path for NH3-assisted selective catalytic reduction (SCR) of nitrogen oxides over Cu-CHA. Herein, we use density functional theory calculations to suggest a complete reaction mechanism for low-temperature NH3-SCR The reaction is found to proceed in a multisite fashion over ammonia-solvated Cu cations Cu(NH3)(2+) and Bronsted acid sites. The activation of oxygen and the formation of the key intermediates HONO and H2NNO occur on the Cu sites, whereas the Bronsted acid sites facilitate the decomposition of HONO and H2NNO to N-2 and H2O. The activation and reaction of NO is found to proceed via the formation of nitrosonium (NO+) or nitrite (NO2-) intermediates. These low-temperature mechanisms take the dynamic character of Cu sites into account where oxygen activation requires pairs of Cu(NH3)(2+) complexes, whereas HO-NO and H3N-NO coupling may occur on single complexes. The formation and separation of Cu pairs is assisted by NH3 solvation. The complete reaction mechanism is consistent with measured kinetic data and provides a solid basis for future improvements of the low-temperature NH3-SCR reaction.
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