采用拓扑优化方法对含多种多孔材料的结构进行结构与材料微结构构型一体化设计,可以获得具有优良力学性能的结构设计。该文面向多晶胞双尺度结构的时域动刚度最优设计问题,考虑不同晶胞间的可连接性,并行设计微结构的构型及其宏观布局...采用拓扑优化方法对含多种多孔材料的结构进行结构与材料微结构构型一体化设计,可以获得具有优良力学性能的结构设计。该文面向多晶胞双尺度结构的时域动刚度最优设计问题,考虑不同晶胞间的可连接性,并行设计微结构的构型及其宏观布局。首先,引入双Helmholtz平滑-分块投影方案,识别不同多孔材料的宏观结构域。其次,通过均匀化方法计算多孔材料的宏观等效力学性能,利用有序SIMP(soid isotropic material with penalization)方法优化不同微观结构的宏观布局。同时,为了保证不同晶胞间的可连接性,在不同多孔材料微结构的边界区域设置为相同拓扑描述的可设计连接域。然后,基于先离散-后微分的伴随敏度分析方法,实现了时空离散动力系统的一致性敏度计算。最后,以双尺度结构动柔度最小化为目标,以材料用量为约束条件,提出了时域动载荷作用下多微结构多尺度并行动力学拓扑优化方法。数值算例结果表明,提出的优化方法能够实现多晶胞结构的构型与宏观布局设计,充分提高了多孔结构的承载性能,同时保证不同晶胞之间的几何连续性,研究结果可为高承载多孔材料结构设计提供理论参考。展开更多
To expand the study on the structures and biological activities of the anthracyclines anticancer drugs and reduce their toxic side effects,the new anthraquinone derivatives,9‑pyridylanthrahydrazone(9‑PAH)and 9,10‑bisp...To expand the study on the structures and biological activities of the anthracyclines anticancer drugs and reduce their toxic side effects,the new anthraquinone derivatives,9‑pyridylanthrahydrazone(9‑PAH)and 9,10‑bispyridylanthrahydrazone(9,10‑PAH)were designed and synthesized.Utilizing 9‑PAH and 9,10‑PAH as promising anticancer ligands,their respective copper complexes,namely[Cu(L1)Cl_(2)]Cl(1)and{[Cu_(4)(μ_(2)‑Cl)_(3)Cl_(4)(9,10‑PAH)_(2)(DMSO)_(2)]Cl_(2)}_(n)(2),were subsequently synthesized,where the new ligand L1 is formed by coupling two 9‑PAH ligands in the coordination reaction.The chemical and crystal structures of 1 and 2 were elucidated by IR,MS,elemental analysis,and single‑crystal X‑ray diffraction.Complex 1 forms a mononuclear structure.L1 coordinates with Cu through its three N atoms,together with two Cl atoms,to form a five‑coordinated square pyramidal geometry.Complex 2 constitutes a polymeric structure,wherein each structural unit centrosymmetrically encompasses two five‑coordinated binuclear copper complexes(Cu1,Cu2)of 9,10‑PAH,with similar square pyramidal geometry.A chlorine atom(Cl_(2)),located at the symmetry center,bridges Cu1 and Cu1A to connect the two binuclear copper structures.Meanwhile,the two five‑coordinated Cu2 atoms symmetrically bridge the adjacent structural units via one coordinated Cl atom,respectively,thus forming a 1D chain‑like polymeric structure.In vitro anticancer activity assessments revealed that 1 and 2 showed significant cytotoxicity even higher than cisplatin.Specifically,the IC_(50)values of 2 against HeLa‑229 and SK‑OV‑3 cancer cell lines were determined to be(5.92±0.32)μmol·L^(-1)and(6.48±0.39)μmol·L^(-1),respectively.2 could also block the proliferation of HeLa‑229 cells in S phase and significantly induce cell apoptosis.In addition,fluorescence quenching competition experiments suggested that 2 might interact with DNA by an intercalative binding mode,offering insights into its underlying anticancer mechanism.CCDC:2388918,1;2388919,2.展开更多
文摘采用拓扑优化方法对含多种多孔材料的结构进行结构与材料微结构构型一体化设计,可以获得具有优良力学性能的结构设计。该文面向多晶胞双尺度结构的时域动刚度最优设计问题,考虑不同晶胞间的可连接性,并行设计微结构的构型及其宏观布局。首先,引入双Helmholtz平滑-分块投影方案,识别不同多孔材料的宏观结构域。其次,通过均匀化方法计算多孔材料的宏观等效力学性能,利用有序SIMP(soid isotropic material with penalization)方法优化不同微观结构的宏观布局。同时,为了保证不同晶胞间的可连接性,在不同多孔材料微结构的边界区域设置为相同拓扑描述的可设计连接域。然后,基于先离散-后微分的伴随敏度分析方法,实现了时空离散动力系统的一致性敏度计算。最后,以双尺度结构动柔度最小化为目标,以材料用量为约束条件,提出了时域动载荷作用下多微结构多尺度并行动力学拓扑优化方法。数值算例结果表明,提出的优化方法能够实现多晶胞结构的构型与宏观布局设计,充分提高了多孔结构的承载性能,同时保证不同晶胞之间的几何连续性,研究结果可为高承载多孔材料结构设计提供理论参考。
文摘To expand the study on the structures and biological activities of the anthracyclines anticancer drugs and reduce their toxic side effects,the new anthraquinone derivatives,9‑pyridylanthrahydrazone(9‑PAH)and 9,10‑bispyridylanthrahydrazone(9,10‑PAH)were designed and synthesized.Utilizing 9‑PAH and 9,10‑PAH as promising anticancer ligands,their respective copper complexes,namely[Cu(L1)Cl_(2)]Cl(1)and{[Cu_(4)(μ_(2)‑Cl)_(3)Cl_(4)(9,10‑PAH)_(2)(DMSO)_(2)]Cl_(2)}_(n)(2),were subsequently synthesized,where the new ligand L1 is formed by coupling two 9‑PAH ligands in the coordination reaction.The chemical and crystal structures of 1 and 2 were elucidated by IR,MS,elemental analysis,and single‑crystal X‑ray diffraction.Complex 1 forms a mononuclear structure.L1 coordinates with Cu through its three N atoms,together with two Cl atoms,to form a five‑coordinated square pyramidal geometry.Complex 2 constitutes a polymeric structure,wherein each structural unit centrosymmetrically encompasses two five‑coordinated binuclear copper complexes(Cu1,Cu2)of 9,10‑PAH,with similar square pyramidal geometry.A chlorine atom(Cl_(2)),located at the symmetry center,bridges Cu1 and Cu1A to connect the two binuclear copper structures.Meanwhile,the two five‑coordinated Cu2 atoms symmetrically bridge the adjacent structural units via one coordinated Cl atom,respectively,thus forming a 1D chain‑like polymeric structure.In vitro anticancer activity assessments revealed that 1 and 2 showed significant cytotoxicity even higher than cisplatin.Specifically,the IC_(50)values of 2 against HeLa‑229 and SK‑OV‑3 cancer cell lines were determined to be(5.92±0.32)μmol·L^(-1)and(6.48±0.39)μmol·L^(-1),respectively.2 could also block the proliferation of HeLa‑229 cells in S phase and significantly induce cell apoptosis.In addition,fluorescence quenching competition experiments suggested that 2 might interact with DNA by an intercalative binding mode,offering insights into its underlying anticancer mechanism.CCDC:2388918,1;2388919,2.
