HACP2 : The Pre-processing Software Tool for the Hybrid Atomistic-Continuum Coupling Simulation

Qian Wang,Wenjing Yang,Fu Li,Xiaoguang Ren,Yuhua Tang 보안공학연구지원센터 2016 International Journal of Hybrid Information Techno Vol.9 No.1

Fluid simulation is an important application of High Performance Computing. The hybrid atomistic-continuum coupling fluid simulation can effectively handle the contradictory of the reduction of the simulation scale and the increase of the computation load when trying to improve the accuracy. The pre-processing procedure of the coupling simulation is quite important in the whole simulation process and requires the support of an efficient, user-friendly interface. Under the demand of efficient coupling fluid simulation, in this paper we design and implement a visualized pre-processing framework HACP2 based on SALOME, for the unified molecular dynamic-computational fluid dynamics modeling and apply it into the coupling simulation process. The experimental verification indicates that our HACP2 framework can offer efficient, easy-to-use pre-processing for the hybrid atomistic-continuum coupling simulation, and effectively improve the efficiency of the coupling simulation.

Digital Implementation of Optimal Phase Calculation for Buck-Boost LLC Converters

Qian, Qinsong,Ren, Bowen,Liu, Qi,Zhan, Chengwang,Sun, Weifeng The Korean Institute of Power Electronics 2019 JOURNAL OF POWER ELECTRONICS Vol.19 No.6

Buck-Boost LLC (BBLLC) converters based on a PWM + phase control strategy are good candidates for high efficiency, high power density and wide input range applications. Nevertheless, they suffer from large computational complexity when it comes to calculating the optimal phase for ZVS of all the switches. In this paper, a method is proposed for a microcontroller unit (MCU) to calculate the optimal phase quickly and accurately. Firstly, a 2-D lookup table of the phase is established with an index of the input voltage and output current. Then, a bilinear interpolation method is applied to improve the accuracy. Meanwhile, simplification of the phase equation is presented to reduce the computational complexity. When compared with conventional curve-fitting and LUT methods, the proposed method makes the best tradeoff among the accuracy of the optimal phase, the computation time and the memory consumption of the MCU. Finally, A 350V-420V input, 24V/30A output experimental prototype is built to verify the proposed method. The efficiency can be improved by 1% when compared with the LUT method, and the computation time can be reduced by 13.5% when compared with the curve-fitting method.

Platform development for multi-physics coupling and uncertainty analysis based on a unified framework

Qian Guan-Hua,Li Ren,Yang Tao,Wang Xu,Zhao Peng-Cheng,Zhao Ya-Nan,Yu Tao 한국원자력학회 2023 Nuclear Engineering and Technology Vol.55 No.5

The multi-physics coupled methodologies that have been widely used to analyze the complex process occurring in nuclear reactors have also been used to the R&D of numerical reactors. The advancement in the field of computer technology has helped in the development of these methodologies. Herein, we report the integration of ADPRES code and RELAP5 code into the SALOME-ICoCo framework to form a multi-physics coupling platform. The platform exploits the supervisor architecture, serial mode, mesh one-to-one correspondence and explicit coupling methods during analysis, and the uncertainty analysis tool URANIE was used. The correctness of the platform was verified through the NEACRP-L-335 benchmark. The results obtained were in accordance with the reference values. The platform could be used to accurately determine the power peak. In addition, design margins could be gained post uncertainty analysis. The initial power, inlet coolant temperature and the mass flow of assembly property significantly influence reactor safety during the rod ejections accident (REA).

Genome-wide analysis of maize MBD gene family and expression profiling under abiotic stress treatment at the seedling stage

Qian Yexiong,Ren Qiaoyu,Jiang Lingyu,Zhang Jing,Chen Changle,Chen Liang 한국식물생명공학회 2020 Plant biotechnology reports Vol.14 No.3

Methyl-CpG-binding domain (MBD) proteins in plants are important trans-acting factors specifically recognizing methylated DNA. The MBD proteins can compact chromatins to repress transcription by recruiting chromatin-modifying complexes that contain histone deacetylase activities and chromatin remodeling factors, and play a crucial biological role in the growth and development in plants. Currently, very little is known regarding the structure and function of MBD genes in plants. In this study, we performed a genome-wide identification and expression profile analysis of maize MBD genes (ZmMBDs) from the latest version of the maize (B73) genome. By analyzing phylogenetic relationship of MBD gene families from Arabidopsis, rice, wheat, and maize, all 14 MBD proteins in maize were categorized into four subclasses. Furthermore, chromosome location and schematic structure revealed an unevenly distribution on chromosomes and structure features of MBD genes in maize, respectively. Eventually, EST expression data mining, microarray data clustering analysis, and semi-quantitative and quantitative expression profile analyses detected in seedling leaves and stems by heat, drought, and salt-stress treatments have demonstrated that these genes had temporal and spatial expression pattern and exhibited different expression levels under heat, drought, and salt-stress conditions, suggesting that functional diversification of the MBD gene family in maize. In addition, through electrophoretic mobility shift assay (EMSA) a representative MBD protein, ZmMBD11, exhibited in vitro DNA-binding activity, indicating that that the MBD proteins in maize might play a role in reading cytosine methylation. Taken together, these results would provide an important theoretical basis for future functional verification of ZmMBD genes and also facilitate future experimental research to further unravel the mechanisms of epigenetic regulation in plants.

Effect of Multi-Level Microstructure on Local and Bulk Mechanical Properties in Micro-Injection Molded PC/PET Blend

Jianping Ren,Jing Jiang,Zihui Li,Jianhua Hou,Qian Li 한국고분자학회 2020 Macromolecular Research Vol.28 No.10

This study introduces a method to investigate the relationship between the multi-level microstructures and mechanical properties of polymer blends prepared by micro-injection molding (μIM). Special morphological features were systematically researched. Polycarbonate (PC), poly(ethylene terephthalate) (PET), and PC/PET microparts all exhibit typical “skin-core” morphologies. The thickness of the core layer is much greater than that of the skin layer, and the thickness of the skin layer gradually decreases along the flow direction. Photoacoustic Fourier transform infrared spectroscopy records reveal that the PC molecular chain has the biggest orientation degree, followed by PC/PET and PET chains under the same μIM processing conditions. Moreover, the molecular chains orientation in the skin layer is more than 50% that in the core layer. Nanoindentation tests are conducted to study local mechanical properties. The higher modulus in the shear layer is affected to a greater extent by high shear action in comparison with the frozen and core layers. Uniaxial tensile testing demonstrates that the tensile strength of PC/PET micropart is 15.5% higher than that of the PET micropart, while the toughness is 16% higher than that of the PC microparts. In-situ, high- speed tensile imaging, combined with scanning electron microscopy micrographs of the fracture section, are used to study the fracture behaviors of the microparts. The results gathered in this paper may provide a theoretical basis and data to support the feasibility and efficiency of micro-injection molded polymer blends.

Autophagy inhibition through PI3K/Akt increases apoptosis by sodium selenite in NB4 cells

( Yun Ren ),( Fang Huang ),( Yuan Liu ),( Yang Yang ),( Qian Jiang ),( Cai Min Xu ) 생화학분자생물학회 2009 BMB Reports Vol.42 No.9

Two New Hetero-Spirocyclic γ -Lactam Derivatives from Marine Sediment-derived Fungus Aspergillus sydowi D2-6

Hong Ren,Rui Liu,Li Chen,Tianjiao Zhu,Wei Ming Zhu,Qian Qun Gu 대한약학회 2010 Archives of Pharmacal Research Vol.33 No.4

Two new hetero-spirocyclic γ-lactams, azaspirofurans A (1) and B (2), had been isolated from a marine sediment-derived fungus Aspergillus sydowi D2-6. Their structures were determined by the chemical evidence and spectral analyses. Compound 1 exhibited cytotoxicity against A549 cell line with the IC50 value of 10 μM by MTT method.

The Antibacterial and Hydrophobic Cotton Fabrics Constructed by Multifunctional Polysiloxane and TiO2 Nanoparticles

Fengyi Qian,Meiping Chen,Change Zhou,Zhiguang Li,Rong Li,Xuehong Ren 한국섬유공학회 2023 Fibers and polymers Vol.24 No.2

Multifunctional polysiloxane was synthesized by introducing N-halamine compound precursor and stearyl methacrylateinto polyhydromethylsiloxane, and characterized by Fourier transform infrared (FT-IR) and 1H nuclear magnetic resonance(NMR). Cotton fabrics with antibacterial and hydrophobic properties were prepared via a simple one-pot method with thesynthesized polysiloxane and rutile TiO2nanoparticles. The prepared cotton fabrics was characterized by scanning electronmicroscopy (SEM), FT-IR, X-ray photoelectron spectroscopy (XPS) and X-ray diffraction (XRD). The results demonstratedthat prepared cotton fabrics could inactivate 3.9 × 106cfu/sample of S. aureus and 4.8 × 106cfu/sample of E. coli O157:H7within 30 min of contact time, and the water contact angle of the treated fabrics was 133°. The prepared cotton fabrics alsoexhibited excellent stability against 50 abrasion cycles. After 50 washing cycles, 72% of the chlorine content on preparedcotton fabrics could be recovered after rechlorination. And the antibacterial hydrophobic cotton fabrics loaded with TiO2possessed higher UV stability than cotton fabrics only treated with PTSAMS-Cl. Furthermore, the breaking strength ofantibacterial hydrophobic cotton fabrics was decreased while the wrinkle resistance was improved.

Fabrication of Stable Fluorine-Free Hydrophobic Cotton Fabrics with Prominent Antibacterial Property

Fengyi Qian,Meiping Chen,Zhiguang Li,Change Zhou,Rong Li,Xuehong Ren 한국섬유공학회 2023 Fibers and polymers Vol.24 No.11

Multifunctional cotton fabrics with antibacterial property and hydrophobicity were prepared using surface modification. Cotton fabrics were treated with the coating solution containing N-halamine compound poly[5,5-dimethyl-3-(3’-triethoxysilylpropyl) hydantoin] (PSPH) and TiO2 nanoparticles, followed by treated with polydimethylsiloxane (PDMS) to reduce the surface energy of cotton fabrics. The prepared cotton fabrics were characterized by scanning electron microscopy (SEM), atomic force microscopy (AFM), Fourier transform infrared (FT-IR) spectra, X-ray photoelectron spectroscopy (XPS), and X-ray diffractometry (XRD). After chlorination, the prepared cotton fabrics exhibited excellent hydrophobicity with contact angle of 143°. The antibacterial results demonstrated that the prepared cotton fabrics had excellent antibacterial activity and could completely inactivate 4.54 cfu/sample of S.aureus and 4.92 cfu/sample of E. coli O157:H7 within 30 min of contact. The treated cotton fabrics also possessed robust stability under washing, UV light irradiation, and abrasion. Moreover, the breaking strength and air permeability of cotton fabric could maintain to the required values for practical application after treatment.

Site-specific N-glycosylation identification of recombinant human lectin-like oxidized low density lipoprotein receptor-1 (LOX-1)

Yifan Qian,Xingwang Zhang,Lei Zhou,Shifang Ren,Jianxin Gu 한국당과학회 2012 한국당과학회 학술대회 Vol.2012 No.1

Human LOX-1/OLR 1 plays a key role in atherogenesis and endothelial dysfunction. The N-glycosylation of LOX-1 has been shown to affect its biological functions in vivo and modulate the pathogenesis of atherosclerosis. However, the N-glycosylation pattern of LOX-1 has not been described yet. The present study was aimed at elucidating the N-glycosylation of recombinanthuman LOX-1 with regard to N-glycan profile and N-glycosylation sites. Here, an approach using nonspecific protease (Pronase E) digestion followed by MALDI-QIT-TOF MS and multistage MS (MS3) analysis is explored to obtain site-specificN- glycosylation information of recombinanthuman LOX-1, in combination with glycan structure confirmation through characterizing released glycans using tandem MS. The results reveal that N-glycans structures as well as their corresponding attached site of LOX-1 can be identified simultaneously by direct MS analysis of glycopeptides from non-specific protease digestion. With this approach, one potential glycosylation site of recombinanthuman LOX-1 on Asn139 is readily identified and found to carry heterogeneous complex type N-glycans. In addition, manual annotation of multistage MS data utilizing diagnostic ions, which were found to be particularly useful in defining the structure of glycopeptides and glycans was addressed for proper spectra interpretation. The findings described herein will shed new light on further research of the structure-function relationships of LOX-1 N-glycan.