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- 2019
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Tidskriftsartikel (refereegranskat)
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| 3. |
- Agirre, Jon, et al.
(författare)
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The CCP4 suite: integrative software for macromolecular crystallography
- 2023
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Ingår i: Acta Crystallographica Section D. - : INT UNION CRYSTALLOGRAPHY. - 2059-7983. ; 79, s. 449-461
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Tidskriftsartikel (refereegranskat)abstract
- The Collaborative Computational Project No. 4 (CCP4) is a UK-led international collective with a mission to develop, test, distribute and promote software for macromolecular crystallography. The CCP4 suite is a multiplatform collection of programs brought together by familiar execution routines, a set of common libraries and graphical interfaces. The CCP4 suite has experienced several considerable changes since its last reference article, involving new infrastructure, original programs and graphical interfaces. This article, which is intended as a general literature citation for the use of the CCP4 software suite in structure determination, will guide the reader through such transformations, offering a general overview of the new features and outlining future developments. As such, it aims to highlight the individual programs that comprise the suite and to provide the latest references to them for perusal by crystallographers around the world.
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| 4. |
- Chen, Fu qiang, et al.
(författare)
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Thermo-mechanical stress and fatigue damage analysis on multi-stage high pressure reducing valve
- 2017
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Ingår i: Annals of Nuclear Energy. - : Elsevier BV. - 0306-4549. ; 110, s. 753-767
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Tidskriftsartikel (refereegranskat)abstract
- A multi-stage high pressure reducing valve (MSHPRV) is proposed. It can achieve a multi-stage pressure reducing way. Valve failure mainly occurs under high pressure and high temperature conditions, thus it is necessary to investigate the strength of MSHPRV under those complex conditions. In this paper, the mathematical model of MSHPRV is established and Computational Fluid Dynamics (CFD) method is employed to simulate its flow fields and thermo-mechanical stress. Next, the stress of MSHPRV under different opening time and the fatigue damage of MSHPRV under different valve openings are studied. Finally, two changes are provided on geometry of MSHPRV and the geometrical factors are optimized. The results show that, the radial direction from inner wall to outer wall is the main heat transfer direction for valve body. At opening time 50 s, the working condition of MSHPRV is dangerous condition. Meanwhile, the maximum value of thermal stress is 487 MPa, which is located at the upper end face of valve chamber region B3. There is a lag effect of stress distribution with respect to temperature distribution. The combined stress of valve body is composed of thermal stress and mechanical stress, in which thermal stress holds the dominant position. Moreover, with the increasing of valve opening, the fatigue damage of valve body increases correspondingly. It can be concluded that MSHPRV can cope with complex conditions like high pressure and high temperature. In the optimization design of MSHPRV, it can be found that the best strength of MSHPRV is achieved with such geometrical factors as angle 15, diameter 4 mm and 2 stage plates. Besides, radian design as the improved structure is recommended. This work can benefit the further research work on the regulation performance and safe operation of high pressure reducing valve.
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| 5. |
- Chen, Ke-Ling, et al.
(författare)
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Effects of Tocilizumab on Experimental Severe Acute Pancreatitis and Associated Acute Lung Injury
- 2016
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Ingår i: Critical Care Medicine. - : LIPPINCOTT WILLIAMS & WILKINS. - 0090-3493 .- 1530-0293. ; 44:8, s. E664-E677
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Tidskriftsartikel (refereegranskat)abstract
- Objective: To examine the therapeutic effects of tocilizumab, an antibody against interleukin-6 receptor, on experimental severe acute pancreatitis and associated acute lung injury. The optimal dose of tocilizumab and the activation of interleukin-6 inflammatory signaling were also investigated. Design: Randomized experiment. Setting: Research laboratory at a university hospital. Subject: Experimental severe acute pancreatitis in rats. Interventions: Severe acute pancreatitis was induced by retrograde injection of sodium taurocholate (50 mg/kg) into the biliopancreatic duct. In dose-study, rats were administered with different doses of tocilizumab (1, 2, 4, 8, and 16 mg/kg) through the tail vein after severe acute pancreatitis induction. In safety-study, rats without severe acute pancreatitis induction were treated with high doses of tocilizumab (8, 16, 32, and 64 mg/kg). Serum and tissue samples of rats in time-study were collected for biomolecular and histologic evaluations at different time points (2, 6, 12, 18, and 24 hr). Measurements and Main Results: 1) Under the administration of tocilizumab, histopathological scores of pancreas and lung were decreased, and severity parameters related to severe acute pancreatitis and associated lung injury, including serum amylase, C-reactive protein, lung surfactant protein level, and myeloperoxidase activity, were all significant alleviated in rat models. 2) Dose-study demonstrated that 2 mg/kg tocilizumab was the optimal treatment dose. 3) Basing on multi-organ pathologic evaluation, physiological and biochemical data, no adverse effect and toxicity of tocilizumab were observed in safety-study. 4) Pancreatic nuclear factor-kappa B and signal transducer and activator of transcription 3 were deactivated, and the serum chemokine (C-X-C motif) ligand 1 was down-regulated after tocilizumab administration. Conclusions: Our study demonstrated tocilizumab, as a marketed drug commonly used for immune-mediated diseases, was safe and effective for the treatment of experimental severe acute pancreatitis and associated acute lung injury. Our findings provide experimental evidences for potential clinical application of tocilizumab in severe acute pancreatitis and associated complications.
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| 7. |
- He, Xiaoyu, et al.
(författare)
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Dual-optimization strategy engineered Ti-based metal-organic framework with Fe active sites for highly-selective CO2 photoreduction to formic acid
- 2023
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Ingår i: Applied Catalysis B. - : Elsevier BV. - 0926-3373 .- 1873-3883. ; 327
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Tidskriftsartikel (refereegranskat)abstract
- Increasing CO2 conversion efficiency over metal-organic framework (MOF) based photocatalysts is of great significance to promote the carbon capture and utilization. In this work, a dual-benefit design strategy is deployed in the synthesis of a new two-dimensional Fe/Ti-BPDC MOF photocatalyst with atomically dispersed Fe sites. This catalyst demonstrated an excellent catalytic performance in the visible-light-driven CO2 conversion to HCOOH, achieving a high yield of 703.9 μmol g-1 h-1 at a selectivity greater than 99.7%. This is attributed to the ‘dual-optimization’ achieved by this catalyst to sustain the supply of photogenerated electrons and to effectively activate CO2. Specifically, the Fe/Ti-BPDC catalyst provides a high proportion of effective photogenerated electrons for the CO2 photocatalysis process via a unique electron transfer mechanism. Meanwhile, the strong O/Fe affinity between CO2 and atomically dispersed Fe active sites not only enables a fast CO2 activation, but also dictates the intermediate reaction pathways towards high HCOOH selectivity.
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| 8. |
- Li, Kai, et al.
(författare)
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Metal thermopile infrared detector with vertical graphene
- 2023
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Ingår i: Wuli Xuebao/Acta Physica Sinica. - : Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences. - 1000-3290. ; 72:3
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Tidskriftsartikel (refereegranskat)abstract
- Thermopile infrared detector is a kind of detector device mainly composed of thermocouple as the basic unit. Because of its simple principle, no need of cooling equipment, and other advantages, it has been widely used in various fields of production and life. However, the absorption rates of the materials in conventional thermopile devices are poor, and the majority of them are incompatible with microfabrication methods. In this work, a metal thermopile infrared detector with vertical graphene (VG) is designed and fabricated. The VG is grown via plasma enhanced chemical vapor deposition, and retained at the device’s thermal ends to provide the thermopile IR detector’s wideband and high response characteristics. The detector achieves a room temperature responsivity reaching a value as high as 1.53 V/W at 792 nm, which can increase the response results about 28 times and reduce the response time to 0.8 ms compared with the thermopile detector without VG. After systematically measuring the response results, it is finally found that there are three main mechanisms responsible for the response on the composite device. The first one is the response generated by the metal thermopile itself alone. The second one is the response increased eventually by the contribution of VG covered at the metal thermal junction that expands the temperature difference. The last one is the response generated by the temperature gradient existing inside the VG on the surface of the device after the absorption of heat. The portion of each partial response mechanism in the total response is also analyzed, providing a new reference direction for analyzing the response generation mechanism of thermopile detectors with other absorbing materials. The process is compatible with the microfabrication, while the device performance is enhanced and suitable for mass production. Furthermore, by utilizing the surface plasmon resonance to combine VG with metal nanoparticles, the material’ s light absorption is found to be enhanced significantly under the same conditions, and the resulting thermal voltage can be increased to 6 times. The results indicate that VG promises to possess practical applications, in many fields such as photoelectric sensing and power production devices. This technology provides a new method to manufacture high-performance thermopile infrared detectors and other sensor devices.
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| 9. |
- Liu, Fei, et al.
(författare)
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Evolution of particle size distribution and water content for oily particles in machining workshops
- 2024
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Ingår i: Journal of Building Engineering. - : Elsevier BV. - 2352-7102. ; 84
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Tidskriftsartikel (refereegranskat)abstract
- The oily particles produced by aerosolization of the Metalworking fluids (MWFs) pose a threat to human health. To quantify the transmission of oily particles for developing mitigation strategy, the possible particle volatilization, adhesion and coagulation during air transmission should be determined. Therefore, this study firstly by measured the particle size distributions at and away from the emission source in the laboratory. Then, to further verify the results obtained in the laboratory, the particle size distributions of oily particles in a machining workshop were measured. Meanwhile, to better understand the source characteristic of oily particles, this investigation measured the water content of the oily particles in the machining workshop because such a parameter could affect the removal performance of oily particles by filtration. The results revealed that the particle size distributions of oily particles at different locations were similar regardless of the laboratory measurement or on-site measurement. Thus, the evolution of particle size distribution of oily particles during air transmission could be ignored. Besides, the oily particles in the air had a water content of 22.6 % when the MWFs with a water content of 95 % was used during turning process. Although the oily particles in the air contained a certain amount of water, they were difficult to volatilize. The oily particles in the air might mainly consist of pure oily particles and water-in-oil particles. The results in this study could provide guidance for developing better control strategies of oily particles in machining workshops.
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| 10. |
- Liu, Junwei, et al.
(författare)
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Polymer synergy for efficient hole transport in solar cells and photodetectors
- 2023
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Ingår i: Energy & Environmental Science. - : ROYAL SOC CHEMISTRY. - 1754-5692 .- 1754-5706.
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Tidskriftsartikel (refereegranskat)abstract
- Hole transport materials (HTMs) have greatly advanced the progress of solution-based electronic devices in the past few years. Nevertheless, most devices employing dopant-free organic HTMs can only deliver inferior performance. In this work, we introduced a novel "polymer synergy" strategy to develop versatile dopant-free polymer HTMs for quantum dot/perovskite solar cells and photodetectors. With this synergy strategy, the optical, electrical and aggregation properties of polymer HTMs can be modulated, resulting in complementary absorption, high hole mobility, favorable energy landscape and moderate aggregation. Moreover, a clear orientational transition was observed for the developed HTMs with a 9-fold increase in the face-on/edge-on ratio, providing a highway-like carrier transport for electronic devices, as revealed by in situ characterization and ultrafast transient absorption. With these benefits, the photovoltaic and photodetection performance of quantum dot devices were boosted from 11.8% to 13.5% and from 2.95 x 10(12) to 3.41 x 10(13) Jones (over a 10-fold increase), respectively. Furthermore, the developed polymer HTMs can also significantly enhance the photovoltaic and photodetection performance of perovskite devices from 15.1% to 22.7% and from 2.7 x 10(12) to 2.17 x 10(13)Jones with the same device structure, indicating their great application potential in the emerging optoelectronics.
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