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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.
A novel pathogenic deletion in ISPD causes Walker-Warburg syndrome in a Chinese family
Shi Yuting,Fu Yimei,Tao Zhouteng,Yong Wenjing,Peng Huirong,Jian Wenyang,Chen Gang,Guo Manhui,Zhao Yanhua,Yao Ruojin,Guo Dewei 한국유전학회 2023 Genes & Genomics Vol.45 No.3
Background Walker-Warburg syndrome (WWS) is a genetically heterogeneous disease that often presents with complex brain and eye malformations and congenital muscular dystrophy. Mutations of the ISPD gene have been identified as one of the most frequent causes of WWS. Objective The current study aimed to identify the cause of severe congenital hydrocephalus and brain dysplasia in our subject. Methods Genomic DNA was extracted from the fetus's umbilical cord blood and peripheral venous blood of the parents. The genetic analysis included whole-exome sequencing and qPCR. Additionally, in silico analysis and cellular experiments were performed. Results We identified a novel homozygous deletion of exons 7 to 9 in the ISPD gene of the fetus with WWS. In silico analysis revealed a defective domain structure in the C-terminus domain of the ISPD. Analysis of the electrostatic potential energy showed the formation of a new binding pocket formation on the surface of the mutant ISPD gene (ISPD-del ex7-9). Cellular study of the mutant ISPD revealed a significant change in its cellular localization, with the ISPD-del ex7-9 protein translocating from the cytoplasm to the nucleus compared to wild-type ISPD, which is mostly present in the cytoplasm. Conclusion The present study expands the mutational spectrum of WWS caused by ISPD mutations. Importantly, our work suggests that whole-exome sequencing could be considered as a diagnostic option for fetuses with congenital hydrocephalus and brain malformations when karyotype or chromosomal microarray analysis fails to provide a definitive diagnosis.
Suixin Wang,Jiao Jiao,Xinyu Wang,Qingyan Gai,Ping Kou,Wenjing Xu,Meng Luo,Chunjian Zhao,Yu-Jie Fu 한국공업화학회 2019 Journal of Industrial and Engineering Chemistry Vol.70 No.-
Integrated and environmentally friendly methods for extraction and enrichment of natural products havegained increasing interests. The proposed preparation process provides the possibility that extractionand pre-concentration for astragalosides from Radix Astragali roots can be conducted with the surfactantaqueous system in one single procedure. The formulated surfactant system composing of 2% TX-114 assurfactant and 0.03% (w/v) of Gemini 16-5-16 as co-surfactant showed higher extraction efficiency withultrasonic-assisted method and four astragalosides could be enriched by the cloud point phenomenon ofsurfactant. This work represents a valuable alternative for the eco-friendly extraction and enrichment ofsecondary metabolites from plants.