为给云南红壤作业条件下的触土部件设计与优化提供更精准的参数,选用EDEM中Hertz-Mindlin with JKR Co-hesion接触模型标定云南地区红壤数值模拟参数。首先,采用物理试验测定红壤的基本物性参数以及接触参数,以物理试验结果为基础,确定...为给云南红壤作业条件下的触土部件设计与优化提供更精准的参数,选用EDEM中Hertz-Mindlin with JKR Co-hesion接触模型标定云南地区红壤数值模拟参数。首先,采用物理试验测定红壤的基本物性参数以及接触参数,以物理试验结果为基础,确定仿真试验参数范围,开展Plackett-Burman试验,对仿真试验进行显著性筛选,得到对堆积角影响显著的3个参数:红壤-红壤静摩擦因数、红壤-45^(#)钢板间恢复系数和JKR表面能。随之设计最陡爬坡试验,优化显著性参数的最优取值范围。之后开展Box-Behnken试验,以红壤在45^(#)钢板上的堆积角为响应值,对二阶回归方程进行优化,获得最优接触参数组合:红壤-红壤静摩擦系数为0.502、红壤-45^(#)钢板恢复系数0.464、JKR表面能4.938 J·m^(-2)。最后以最优接触参数组合进行仿真试验,得出结果与物理试验误差为1.7%,无明显差异。此结果表明标定的云南红壤的离散元仿真参数可靠度较高,可为云南地区红壤作业条件下的触土部件的设计与优化提供基础参数。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
文摘为给云南红壤作业条件下的触土部件设计与优化提供更精准的参数,选用EDEM中Hertz-Mindlin with JKR Co-hesion接触模型标定云南地区红壤数值模拟参数。首先,采用物理试验测定红壤的基本物性参数以及接触参数,以物理试验结果为基础,确定仿真试验参数范围,开展Plackett-Burman试验,对仿真试验进行显著性筛选,得到对堆积角影响显著的3个参数:红壤-红壤静摩擦因数、红壤-45^(#)钢板间恢复系数和JKR表面能。随之设计最陡爬坡试验,优化显著性参数的最优取值范围。之后开展Box-Behnken试验,以红壤在45^(#)钢板上的堆积角为响应值,对二阶回归方程进行优化,获得最优接触参数组合:红壤-红壤静摩擦系数为0.502、红壤-45^(#)钢板恢复系数0.464、JKR表面能4.938 J·m^(-2)。最后以最优接触参数组合进行仿真试验,得出结果与物理试验误差为1.7%,无明显差异。此结果表明标定的云南红壤的离散元仿真参数可靠度较高,可为云南地区红壤作业条件下的触土部件的设计与优化提供基础参数。
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.
