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Molecular Dynamics Simulation of Shock Response of CL-20 Co-crystals Containing Void Defects
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作者 Changlin Li Wei Yang +5 位作者 qiang gan Yajun Wang Lin Liang Wenbo Zhang Shuangfei Zhu Changgen Feng 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第1期364-374,共11页
To investigate the effect of void defects on the shock response of hexanitrohexaazaisowurtzitane(CL-20)co-crystals,shock responses of CL-20 co-crystals with energetic materials ligands trinitrotoluene(TNT),1,3-dinitro... To investigate the effect of void defects on the shock response of hexanitrohexaazaisowurtzitane(CL-20)co-crystals,shock responses of CL-20 co-crystals with energetic materials ligands trinitrotoluene(TNT),1,3-dinitrobenzene(DNB),solvents ligands dimethyl carbonate(DMC) and gamma-butyrolactone(GBL)with void were simulated,using molecular dynamics method and reactive force field.It is found that the CL-20 co-crystals with void defects will form hot spots when impacted,significantly affecting the decomposition of molecules around the void.The degree of molecular fragmentation is relatively low under the reflection velocity of 2 km/s,and the main reactions are the formation of dimer and the shedding of nitro groups.The existence of voids reduces the safety of CL-20 co-crystals,which induced the sensitivity of energetic co-crystals CL-20/TNT and CL-20/DNB to increase more significantly.Detonation has occurred under the reflection velocity of 4 km/s,energetic co-crystals are easier to polymerize than solvent co-crystals,and are not obviously affected by voids.The results show that the energy of the wave decreases after sweeping over the void,which reduces the chemical reaction frequency downstream of the void and affects the detonation performance,especially the solvent co-crystals. 展开更多
关键词 CL-20 co-crystals Molecular dynamics simulation Reactive forcefield Impact response Hot spot Void defect
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Dynamic regulation of alternative splicing and chromatin structure in Drosophila gonads revealed by RNA-seq 被引量:9
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作者 qiang gan Iouri Chepelev +4 位作者 gang Wei Lama Tarayrah Kairong Cui Keji Zhao Xin Chen 《Cell Research》 SCIE CAS CSCD 2010年第7期763-783,共21页
抄写和 post-transcriptional 过程例如其他的拼接,在在 metazoans 控制发展节目起关键作用。最近出现的 RNA-seq 方法把我们真核细胞的 transcriptomes 的理解带到新水平,因为它能两个都同时解决基因表示水平和其他的拼接事件。在性... 抄写和 post-transcriptional 过程例如其他的拼接,在在 metazoans 控制发展节目起关键作用。最近出现的 RNA-seq 方法把我们真核细胞的 transcriptomes 的理解带到新水平,因为它能两个都同时解决基因表示水平和其他的拼接事件。在性腺获得细胞的区别的更好的理解,我们用 RNA-seq 从果蝇睾丸和卵巢分析了 mRNA 侧面。我们识别了有性特定的 isoforms 在的一套基因野类型(WT ) 性腺,包括几个抄写因素。我们发现从无差别的细菌房间的精子的区别导致了拼接的 RNA 的戏剧的 downregulation 因素。我们的数据证实 RNA 拼接事件是显著地在云石(欺骗) 的无差别的充实房间的袋子里更经常在在 WT 的区别之上的变异的睾丸,而是 downregulated 睾丸。与这一致,我们证明基因在 WT 为成熟分裂和终端区别要求睾丸主要在 transcriptional 水平被调整,然而并非由选择拼接。出人意料地,我们在在无差别的充实房间的欺骗睾丸改变因素和 histone 修改酶的染色质的所有家庭的表示观察了增加。更有趣地,有相反的酶的活动的染色质管理者和 histone 修改酶是在在睾丸的无差别的房间的 coenriched,建议这些房间可以拥有动态染色质建筑学。最后,我们的数据表明果蝇 gonadal transcriptomes 的许多新特征,和愿望导致的更全面的理解微分基因表示并且拼接在果蝇调整 gametogenesis。我们的数据为在果蝇在细菌房间生物学的许多有趣的区域拼接的基因表示和选择的系统的学习提供了一个基础,例如性同种二形和在 germline 干细胞系的增长对终端区别程序的规定的分子的基础。为未加工、分析的 RNA-seq 数据的 GEO 就职数字是 GSE16960。 展开更多
关键词 选择性剪接 RNA剪接 染色质重塑 果蝇基因 性腺 结构调整 细胞分化 睾丸分化
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An Ion-imprinted Silica Gel Polymer Prepared by Surface Imprinting Technique Combined with Aqueous Solution Polymerization for Selective Adsorption of Ni(Ⅱ) from Aqueous Solution 被引量:7
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作者 Hong-Xing He qiang gan Chang-Gen Feng 《Chinese Journal of Polymer Science》 SCIE CAS CSCD 2018年第4期462-471,共10页
A novel Ni(Ⅱ) ion-imprinted silica gel polymer was prepared via the surface imprinting technique combined with aqueous solution polymerization by using 2-acrylamido-2-methyl-1-propanesulfonic acid(AMPS) as a func... A novel Ni(Ⅱ) ion-imprinted silica gel polymer was prepared via the surface imprinting technique combined with aqueous solution polymerization by using 2-acrylamido-2-methyl-1-propanesulfonic acid(AMPS) as a functional monomer for the selective separation of Ni(Ⅱ) from aqueous solution. The sorbent showed good chemical and thermal stability. Kinetics studies indicated that the equilibrium adsorption was achieved within 10 min and the adsorption kinetics fitted well with the pseudo-second-order kinetic model. The maximum adsorption capacity of the ion-imprinted polymer towards Ni(Ⅱ) at the optimal p H of 7.0 was 66.22 mg·g^(-1). The relative selectivity coefficients of the sorbent were 9.23, 15.71, 14.72 and 20.15 for Ni(Ⅱ)/Co(Ⅱ), Ni(Ⅱ)/Cu(Ⅱ), Ni(Ⅱ)/Zn(Ⅱ) and Ni(Ⅱ)/Pb(Ⅱ), respectively. The adsorption isotherm fitted well with Langmuir isotherm model. The thermodynamic results indicated that the adsorption of Ni(Ⅱ) was a spontaneous and endothermic process. The sorbent showed good reusability evidenced by six cycles of adsorption/desorption experiments. The precision of this method is satisfactory. Thus, the prepared sorbent can be considered as a promising sorbent for selective separation of Ni(Ⅱ) in real water samples. 展开更多
关键词 Ion-imprinted polymer Ni(II) ion Surface imprinting technology Selective adsorption Aqueous solution polymerization
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Transcriptional Characteristics of Xa21-mediated Defense Responses in Rice 被引量:5
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作者 qiang gan Hui Bai +6 位作者 Xianfeng Zhao Yong Tao Haipan Zeng Yuning Han Wenyuan Song Lihuang Zhu Guozhen Liu 《Journal of Integrative Plant Biology》 SCIE CAS CSCD 2011年第4期300-311,共12页
Bacterial blight,caused by Xanthomonas oryzae pv.oryzae(Xoo),is the most destructive bacterial disease of rice.The cloned rice gene Xa21 confers resistance to a broad spectrum of Xoo races.To identify genes involved... Bacterial blight,caused by Xanthomonas oryzae pv.oryzae(Xoo),is the most destructive bacterial disease of rice.The cloned rice gene Xa21 confers resistance to a broad spectrum of Xoo races.To identify genes involved in Xa21-mediated immunity,a whole-genome oligonucleotide microarray of rice was used to profile the expression of rice genes between incompatible interactions and mock treatments at 0,4,8,24,72 and 120 h post inoculation(hpi) or between incompatible and compatible interactions at 4 hpi,respectively.A total of 441 differentially expressed genes,designated as XDGs(Xa21 mediated differentially expressed genes),were identified.Based on their functional annotations,the XDGs were assigned to 14 categories,including defense-related,signaling,transcriptional regulators.Most of the defense-related genes belonged to the pathogenesis-related gene family,which was induced dramatically at 72 and 120 hpi.Interestingly,most signaling and transcriptional regulator genes were downregulated at 4 and 8 hpi,suggesting that negative regulation of cellular signaling may play a role in the Xa21-mediated defense response.Comparison of expression profiles between Xa21- and other R gene-mediated defense systems revealed interesting common responses.Representative XDGs with supporting evidences were also discussed. 展开更多
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