A novel copper（Ⅱ） complex with tert-butyl 2-[N-（tert-butyloxycarbonylmethyl）-2-picolyamino]acetate（ampy） was synthesized and structurally characterized by elemental analysis, FT-IR spectrum, electrospray ioniza...A novel copper（Ⅱ） complex with tert-butyl 2-[N-（tert-butyloxycarbonylmethyl）-2-picolyamino]acetate（ampy） was synthesized and structurally characterized by elemental analysis, FT-IR spectrum, electrospray ionization-mass spectrometry, UV-vis spectrum and single-crystal X-ray diffraction, respectively. A mononuclear copper（II） complex with ampy, [Cu（ampy）Cl2]（1）, was formed irrespective of the metal-to-ligand molar ratios（[Cu2＋]：[ampy] = 0.5：1, 1：1, and 2：1） as a single product. Complex 1 crystallizes in the orthorhombic system, space group Pbca with a = 12.343（2）, b = 18.928（3）, c = 20.058（4） A, V = 4686.1（14） A3, Z = 8, Dc = 1.3349（4） g/cm3, F（000） = 1920, S = 1.016, R = 0.0693 and w R = 0.1721 for 3151 observed reflections with I 〉 2σ（I）. X-ray diffraction analysis reveals that the central copper（II） ion is bound by pyridyl N, tertiary amine N and carbonyl O atoms of the quadridentate ampy as well as two Cl anions, constructing a slightly distorted octahedral geometry. Complex 1 further constructs a stable 3D supramolecular architecture by intermolecular C–H…Cl hydrogen bonds. In addition, the molecular geometry was calculated by density functional theory（DFT/B3LYP） method with the basis sets（6-31＋G（d,p） for H, C, N, O and Cl atoms, and LANL2 DZ for Cu atom, respectively）. The calculated results show that the optimized geometrical parameters are in good agreement with the experimental data. Natural bond orbital（NBO） analysis and frontier molecular orbitals（FMOs） analysis were investigated at the same level.展开更多
Social vulnerability,as one of the risk components,partially explains the magnitude of the impacts observed after a disaster.In this study,a spatiotemporally comparable assessment of social vulnerability and its drive...Social vulnerability,as one of the risk components,partially explains the magnitude of the impacts observed after a disaster.In this study,a spatiotemporally comparable assessment of social vulnerability and its drivers was conducted in Portugal,at the civil parish level,for three census frames.The first challenging step consisted of the selection of meaningful and consistent variables over time.Data were normalized using the Adjusted Mazziotta-Pareto Index(AMPI)to obtain comparable adimensional-normalized values.A joint principal component analysis(PCA)was applied,resulting in a robust set of variables,interpretable from the point of view of their self-grouping around vulnerability drivers.A separate PCA for each census was also conducted,which proved to be useful in analyzing changes in the composition and type of drivers,although only the joint PCA allows the monitoring of spatiotemporal changes in social vulnerability scores and drivers from 1991 to 2011.A general improvement in social vulnerability was observed for Portugal.The two main drivers are the economic condition(PC1),and aging and depopulation(PC2).The remaining drivers highlighted are uprooting and internal mobility,and daily commuting.Census data proved their value in the territorial,social,and demographic characterization of the country,to support medium-and long-term disaster risk reduction measures.展开更多
基金supported by the National Basic Research Program of China(No.2014CB643401)the National Natural Science Foundation of China(Nos.51134007 and 51474256)
文摘A novel copper（Ⅱ） complex with tert-butyl 2-[N-（tert-butyloxycarbonylmethyl）-2-picolyamino]acetate（ampy） was synthesized and structurally characterized by elemental analysis, FT-IR spectrum, electrospray ionization-mass spectrometry, UV-vis spectrum and single-crystal X-ray diffraction, respectively. A mononuclear copper（II） complex with ampy, [Cu（ampy）Cl2]（1）, was formed irrespective of the metal-to-ligand molar ratios（[Cu2＋]：[ampy] = 0.5：1, 1：1, and 2：1） as a single product. Complex 1 crystallizes in the orthorhombic system, space group Pbca with a = 12.343（2）, b = 18.928（3）, c = 20.058（4） A, V = 4686.1（14） A3, Z = 8, Dc = 1.3349（4） g/cm3, F（000） = 1920, S = 1.016, R = 0.0693 and w R = 0.1721 for 3151 observed reflections with I 〉 2σ（I）. X-ray diffraction analysis reveals that the central copper（II） ion is bound by pyridyl N, tertiary amine N and carbonyl O atoms of the quadridentate ampy as well as two Cl anions, constructing a slightly distorted octahedral geometry. Complex 1 further constructs a stable 3D supramolecular architecture by intermolecular C–H…Cl hydrogen bonds. In addition, the molecular geometry was calculated by density functional theory（DFT/B3LYP） method with the basis sets（6-31＋G（d,p） for H, C, N, O and Cl atoms, and LANL2 DZ for Cu atom, respectively）. The calculated results show that the optimized geometrical parameters are in good agreement with the experimental data. Natural bond orbital（NBO） analysis and frontier molecular orbitals（FMOs） analysis were investigated at the same level.
基金funded by FCT (Funda??o para a Ciência e Tecnologia/Portuguese Foundation for Science and Technology),through the projects “Be Safe Slide-Landslide early warning soft technology prototype to improve community resilience and adaptation to environmental change”(PTDC/GES-AMB/30052/2017)“MIT-RSC-Multi-risk interactions towards resilient and sustainable cities”(MIT-EXPL/CS/0018/2019)+3 种基金Jorge Rocha was financed through FCT,within the framework of the project “TRIAD-Health risk and social vulnerability to arboviral diseases in mainland Portugal”(PTDC/GES-OUT/30210/2017)partially developed within the framework of the RISKCOAST project (Ref:SOE3/P4/E0868) funded by the Interreg SUDOE Program (3rd Call for proposals)Pedro Pinto Santos was fi nanced by FCT,within the framework of the contract CEEIND/00268/2017by the Research Unit UID/GEO/00295/2020
文摘Social vulnerability,as one of the risk components,partially explains the magnitude of the impacts observed after a disaster.In this study,a spatiotemporally comparable assessment of social vulnerability and its drivers was conducted in Portugal,at the civil parish level,for three census frames.The first challenging step consisted of the selection of meaningful and consistent variables over time.Data were normalized using the Adjusted Mazziotta-Pareto Index(AMPI)to obtain comparable adimensional-normalized values.A joint principal component analysis(PCA)was applied,resulting in a robust set of variables,interpretable from the point of view of their self-grouping around vulnerability drivers.A separate PCA for each census was also conducted,which proved to be useful in analyzing changes in the composition and type of drivers,although only the joint PCA allows the monitoring of spatiotemporal changes in social vulnerability scores and drivers from 1991 to 2011.A general improvement in social vulnerability was observed for Portugal.The two main drivers are the economic condition(PC1),and aging and depopulation(PC2).The remaining drivers highlighted are uprooting and internal mobility,and daily commuting.Census data proved their value in the territorial,social,and demographic characterization of the country,to support medium-and long-term disaster risk reduction measures.
