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| 2. |
- Bruni, Stefano, et al.
(författare)
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The results of the pantograph-catenary interaction benchmark
- 2015
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Ingår i: Vehicle System Dynamics. - : Informa UK Limited. - 0042-3114 .- 1744-5159. ; 53:3, s. 412-435
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Tidskriftsartikel (refereegranskat)abstract
- This paper describes the results of a voluntary benchmark initiative concerning the simulation of pantograph-catenary interaction, which was proposed and coordinated by Politecnico di Milano and participated by 10 research institutions established in 9 different countries across Europe and Asia. The aims of the benchmark are to assess the dispersion of results on the same simulation study cases, to demonstrate the accuracy of numerical methodologies and simulation models and to identify the best suited modelling approaches to study pantograph-catenary interaction. One static and three dynamic simulation cases were defined for a non-existing but realistic high-speed pantograph-catenary couple. These cases were run using 10 of the major simulation codes presently in use for the study of pantograph-catenary interaction, and the results are presented and critically discussed here. All input data required to run the study cases are also provided, allowing the use of this benchmark as a term of comparison for other simulation codes.
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| 3. |
- Kong, Jiahui, et al.
(författare)
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Tetra- and Octapyrroles Synthesized from Confusion and Fusion Approaches
- 2016
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Ingår i: Organic Letters. - : American Chemical Society (ACS). - 1523-7060 .- 1523-7052. ; 18:19, s. 5046-5049
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Tidskriftsartikel (refereegranskat)abstract
- By oxidation of an alternately N-confused bilane in CH2Cl2, a C-N fused tetrapyrrin was synthesized that bears a 5.5.5-tricyclic ring generated from an intramolecular C-N linkage. When CH3CN was used as the reaction medium, a multiply C-N-fused octapyrrolic dimer was also obtained that contained two 5.5.5.7.5-pentacyclic moieties and a bipyrrole unit generated from the intramolecular C-N linkage and intermolecular C-C linkage, respectively. This could be coordinated with Ni(acac)(2) to afford a mixed-ligand complex.
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| 4. |
- Li, Junhao, et al.
(författare)
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Computational Insight Into Vitamin K-1 omega-Hydroxylation by Cytochrome P450 4F2
- 2018
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Ingår i: Frontiers in Pharmacology. - : Frontiers Media S.A.. - 1663-9812. ; 9
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Tidskriftsartikel (refereegranskat)abstract
- Vitamin K-1 (VK1) plays an important role in the modulation of bleeding disorders. It has been reported that omega-hydroxylation on the VK1 aliphatic chain is catalyzed by cytochrome P450 4F2 (CYP4F2), an enzyme responsible for the metabolism of eicosanoids. However, the mechanism of VK1 omega-hydroxylation by CYP4F2 has not been disclosed. In this study, we employed a combination of quantum mechanism (QM) calculations, homology modeling, molecular docking, molecular dynamics (MD) simulations, and combined quantum mechanism/molecular mechanism (QM/MM) calculations to investigate the metabolism profile of VK1 omega-hydroxylation. QM calculations based on the truncated VK1 model show that the energy barrier for omega-hydroxylation is about 6-25 kJ/mol higher than those at other potential sites of metabolism. However, results from the MD simulations indicate that hydroxylation at the omega-site is more favorable than at the other potential sites, which is in accordance with the experimental observation. The evaluation of MD simulations was further endorsed by the QM/MM calculation results. Our studies thus suggest that the active site residues of CYP4F2 play a determinant role in the omega-hydroxylation. Our results provide structural insights into the mechanism of VK1 omega-hydroxylation by CYP4F2 at the atomistic level and are helpful not only for characterizing the CYP4F2 functions but also for looking into the omega-hydroxylation mediated by other CYP4 enzymes.
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| 5. |
- Liu, Weihua, et al.
(författare)
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Characterizing the Reliability and Threshold Voltage Shifting of 3D Charge Trap NAND Flash
- 2019
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Ingår i: 2019 DESIGN, AUTOMATION & TEST IN EUROPE CONFERENCE & EXHIBITION (DATE). - : IEEE. - 9783981926323 ; , s. 312-315
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Konferensbidrag (refereegranskat)abstract
- 3D charge trap (CT) triple-level cell (TLC) NAND flash gradually becomes a mainstream storage component due to high storage capacity and performance, but introducing a concern about reliability. Fault tolerance and data management schemes are capable of improving reliability. Designing a more efficient solution, however, needs to understand the reliability characteristics of 3D CT TLC NAND flash. To facilitate such understanding, by exploiting a real-world testing platform, we investigate the reliability characteristics including the raw bit error rate (RBER) and the threshold voltage (Vth) shifting features after suffering from variable disturbances. We give analyses of why these characteristics exist in 3D CT TLC NAND flash. We hope these observations can guide the designers to propose high efficient solutions to the reliability problem.
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| 6. |
- Liu, Weihua, et al.
(författare)
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Modeling of Threshold Voltage Distribution in 3D NAND Flash Memory
- 2021
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Ingår i: PROCEEDINGS OF THE 2021 DESIGN, AUTOMATION & TEST IN EUROPE CONFERENCE & EXHIBITION (DATE 2021). - : Institute of Electrical and Electronics Engineers (IEEE). ; , s. 1729-1732
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Konferensbidrag (refereegranskat)abstract
- 3D NAND flash memory faces unprecedented complicated interference than planar NAND flash memory, resulting in more concern regarding reliability and performance. Stronger error correction code (ECC) and adaptive reading strategies are proposed to improve the reliability and performance taking a threshold voltage (Vth) distribution model as the backbone. However, the existing modeling methods are challenged to develop such a Vth distribution model for 3D NAND flash memory. To facilitate it, in this paper, we propose a machine learning-based modeling method. It employs a neural network taking advantage of the existing modeling methods and fully considers multiple interferences and variations in 3D NAND flash memory. Compared with state-of-the-art models, evaluations demonstrate it is more accurate and efficient for predicting Vth distribution.
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| 7. |
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| 8. |
- Xu, Yan, et al.
(författare)
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Long-Term High-Speed Train–Track Dynamic Interaction Analysis Using a Moving Train–Track Interaction Model
- 2022
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Ingår i: IAVSD 2021: Advances in Dynamics of Vehicles on Roads and Tracks II. - Cham : Springer Nature. ; , s. 272-281
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Konferensbidrag (refereegranskat)abstract
- A new moving train–track interaction model is shown in the paper to accurately and efficiently determine long-term high-speed train–track interaction dynamic response. In this model, the rail is represented with a reduced beam model (RBM) and the slabs mainly affected by the train–track interaction are modeled with four-node Kirchhoff-Love plate elements. The fastenings are modeled with spring-damper elements and the Concrete Asphalt (CA) layer is modeled with a Winkler foundation. Since only a small part of the rail and a few slabs from the whole slab track are included, the present model has fewer degrees of freedom than the traditional model using the modal superposition method and the simulation time is significantly decreased. The present model is validated by a long-term train–track interaction case where the results are compared with those from the traditional method. The simulation results show that the present model is accurate and efficient and has great advantages in solving high-speed train–track interaction problems.
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| 9. |
- Xu, Yan, et al.
(författare)
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Reduced-order modeling of train-curved-slab-track dynamics with the effects of fastening failures
- 2022
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Ingår i: Acta Mechanica Sinica. - : Springer Nature. - 0567-7718 .- 0459-1879 .- 1614-3116. ; 38
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Tidskriftsartikel (refereegranskat)abstract
- Fastening failures have frequently been found on China high-speed railway curved tracks in recent years. Thus the influence of fastening failures on high-speed train-track interaction in curved track needs to be analyzed. A train-curved slab track interaction model is built, in which the real shape of the curved rail is considered and modeled with reduced beam model (RBM) and curved beam theory, and the slabs are modeled with four-nodes Kirchhoff-Love plate elements. The present model is validated at first with different traditional models. Then the influence of fastening failure in curved slab track on train-track interaction dynamics is studied. A different number of failed fastenings is assumed to occur at the curved track, and different types of fastening failure including the fatigue fracture of the clip structure and failure of the rail pad are considered. Based on the calculation results, the fatigue fracture of the clip structure has little influence on train-track interaction dynamics. But when rail pad failure happens and its equivalent vertical stiffness and damping are less than one-tenth of its original, the fastening failure seriously affects the high-speed train operation safety, and it must be prevented
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| 10. |
- Zhang, Juan, et al.
(författare)
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Computational insight into conformational states of glucagon-like peptide-1 receptor (GLP-1R) and its binding mode with GLP-1
- 2016
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Ingår i: RSC Advances. - : American Chemical Society (ACS). - 2046-2069. ; 6:16, s. 13490-13497
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Tidskriftsartikel (refereegranskat)abstract
- The glucagon-like peptide-1 receptor (GLP-1R) has captivated researchers because of its tremendous therapeutic effects for the treatment of type 2 diabetes mellitus (T2DM). However, since the full-length crystal structure of GLP-1R has not been revealed yet, the molecular binding mode and the activation mechanism remain unclear, which will be the obstacle for the discovery of novel potent GLP-1R agonists. In the present study, we constructed the model of GLP-1R in its full length and explored the binding modes between GLP-1 and GLP-1R by means of a bunch of computational methods including homology modeling, protein-protein docking, and molecular dynamics simulations. Our model is in agreement with previous experiment and the results from our MD simulations that verified the binding modes between GLP-1 and GLP-1R are reasonable. What's more, we found the absence or presence of GLP-1 significantly affected the conformation of extracellular domain (ECD) of GLP-1R. The GLP-1R in the apo form stabilized in a 'closed' state which is unfavorable to the binding of GLP-1, resembling as the GCGR. By contrast, in the GLP-1/GLP-1R complex, GLP-1R maintained an 'open' state.
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