Soil heavy metal contaminated sites with multiple sources of pollution have caused worldwide public concern. However, the lack of correlation of risk assessment between source identification of heavy metal leads to unclear direction of source governance. An integrated methodology is established in this study by combining source apportionment and human health risks model to characterize source-identified risks of heavy metals based on spatial interplotation. Principal component analysis and positive matrix factorization model are used to identify and classify potential sources of heavy metals synthetically. The integrated results are incorporated into the health risk model to evaluate potential non-carcinogenic and carcinogenic risk of soil heavy metals. A case study was conducted in Suzhou city of China. The results indicate that concentrations of Cd and Hg were highly above the background values, accounting for percentages of 239.6% and 415.9% above background values, respectively. The source-contributed human health risk index of As contributed 76.9% to non-carcinogenic risk by pollutant sources of agriculture activities. The non-carcinogenic health risk index for adults and children are 0.308 and 1.00 respectively, indicating health threat to the children. Overall, the non-carcinogenic and carcinogenic risks of heavy metals are at an unacceptable level of risk and require environmental management. Furthermore, the health risk evaluation based on source contribution suggests that industrial processes contribute more to the health risk of heavy metals in soils. This study will provide a new insight for the treatment of mutil-sources of soil heavy metal pollution and also some reference value for the improvement of the risk assessment system.

Two novel inorganic-organic hybrid vanadates complexes [Ni(H(2)biim)(3)]V2O6 (H(2)biim = 2,2'-biimidazole) 1 and [Ni(H(2)biim)(3)][(VO2)(SO4)](2) have been synthesized under hydrothermal synthesis and characterized by single-crystal X-ray diffraction. Compound 1 consists of (VO3)-n unit and compound 2 consists of (VO-S)(n) one dimensional chains and in compound 2 the anion SO42- was linked to the vanadium atom via the oxygen atom. IR, thermogravimetric analysis and fluorescence detection were also described in this paper and Compound 2 showed fluorescence properties. (C) 2021 Elsevier B.V. All rights reserved.

A weighted human health risk evaluation methodology that integrated fuzzy-synthetic evaluation and chemical equilibrium simulation was proposed. The method was applied to study the potential toxicity and morphological characteristics of cadmium (Cd) species in groundwater. The concentrations and activities of 15 Cd (II) ion species were conducted by Visual MINTEQ for optimizing average daily dose through ingestion pathway in the health risk model. Both carcinogenic and non-carcinogenic health risk of Cd (II) species for adults and children were conducted. The health risk assessment revealed that metal species of Cd2+ and CdCl + posed carcinogenic risk to adults. The carcinogenic risk of Cd2+ with the value 8.03E-04 and 5.43E-04 for adults and children demonstrated high carcinogenicity, respectively. Non-carcinogenic risk values for Cd (II) ion species were all less than 1 except for Cd2+. It was noteworthy that the non-carcinogenic risk index of Cd2+ and CdCl+ were slightly higher than those after weight assignment. Besides, the investigation indicated that conventional risk assessment may overestimate or underestimate risk levels and the health risk of Cd (II) species principally depended on their metal speciation associated affecting factor of pH in groundwater. The Nemero index for Cd (II) species showed a slight contamination accounted for a percentage of 13.33% of the sampling areas. Therefore, the methodology identified Cd2+ and CdCl + as the targeted species for contamination through the assessment. This strategy provided a solution of correlation degree optimization for groundwater health risk assessment and a reference for the administration to manage groundwater pollution.

Soil heavy metal contaminated sites with multiple sources of pollution have caused worldwide public concern. However, the lack of correlation of risk assessment between source identification of heavy metal led to unclear direction of source governance. A methodology was established by combining source apportionment of human health risks with ecological enrichment to characterize source-identified risks of heavy metals based on Ordinary kriging interplotation. Principal component analysis (PCA) and positive matrix factorization (PMF) model were used to identify and classify potential sources of heavy metals synthetically. The integrated results were incorporated into the health risk model to evaluate potential non-carcinogenic and carcinogenic risk of soil heavy metals. A case study was conducted in Suzhou city of China. The results showed that concentrations of Cd and Hg were highly above the background values, accounting for percentages of 239.6% and 415.9% above background values, respectively. The source contributed human health risk index of As contributed 76.9% to non-carcinogenic risk by pollutant sources of agriculture activities. The Non-cancer health risk index for children and adults was 1.08 and 1.00 respectively. The cancer health risk was 3.67E-03 for children and 3.97E-04 for adults. Cr originated from indutriy activities, accounting for 29.5% of total heavy metals, and constituted the largest carcinogenic impact on the population. This study provided a new insight for the treatment of mutil-sources of soil heavy metal pollution and also some reference value for the improvement of the risk assessment system.

A novel tetranuclear vanadium(IV) complex, [VIV4O4(μ4-O)(μ-OCH3)2(pyCHNO)4·H2O] (1) (pyCHNOH=2-pyridinaldoxime), was synthesized and characterized. The binding propensity of the complex 1 to calf thymus DNA (CT-DNA) was studied by fluorescence spectroscopy, UV–vis absorption and viscosity measurement. Single crystal X-ray diffraction analysis reveals that the complex 1 possesses centrosymmetric structure and pseudo-tetrahedron conformation. Electrochemical behavior indicates the quasi-reversible nature of the electron-transfer process in the complex 1. The results suggest the groove-binding propensity of the complex 1.

Divanadium(V) complex [VO(aptch)(mu-OCH3)](2) (1) and two monovanadium(V) complexes [VO(apfah))(OEt)] (2a and 2b, H(2)aptch = 2-hydroxyacetophenone thiophene-2-carboxylic hydrazone, H(2)apfah = 2-hydroxyacetophenone 2-furoic acid hydrazone) have been synthesized and characterized. Single-crystal X-ray diffraction studies reveal that 1 is a centrosymmetric dimer bridged by two methoxido O-atoms. Complex 1 crystallizes in the monoclinic crystal system, space groups P2(1)/c with a = 7.4825(4), b = 17.0928(11), c = 11.6961(7) angstrom, beta = 98.172(4)degrees, Z = 2, F(000) = 728, mu = 0.829 mm(-1), the final R = 0.0457 and wR = 0.1137 for 2654 observed reflections with I > 2 sigma(I). The vanadium(V) is coordinated to the tridentate ligand, ethanol molecule to form a distorted square-pyramidal geometry, complexes 2a and 2b. Although 2a and 2b have the same asymmetric unit, they belong to different space groups. Complex 2a crystallizes in the monoclinic crystal system, space groups P2(1)/n with a = 10.2293(2), b = 15.6660(3), c = 10.6298(2) angstrom, beta = 116.259(1)degrees, Z = 4, mu = 0.676 mm(-1); complex 2b crystallizes in the triclinic crystal system, space groups P (1) over bar with a = 8.2808(4), b = 9.4704(5), c = 10.0819(5) angstrom, alpha = 86.133(3), beta = 81.956(3), gamma = 80.248(3)degrees, Z = 2 and mu = 0.670 mm(-1). The hydrogen bonds are found to exist in 2b only. The crystal structure is stabilized by intermolecular hydrogen bonds of C-H center dot center dot center dot O.

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

A novel vanadium(V) oxoperoxo complex [VOO2(APTCH)(CH3OH)] (HAPTCH = 2-acetylpyridine thiophene-2-carboxylic hydrazone) has been synthesized and characterized by IR, TGA and X-ray single-crystal structure determination. The complex crystallizes in the monoclinic system, space group P2(1)/c with a = 11.232(2), b = 10.762(2), c = 112.613(3) angstrom, beta = 99.44(3)degrees, V = 1504.1(5) angstrom(3), D-c = 1.657 g.cm(-3), Z = 4, F(000) = 768, mu = 0.827 mm(-1), the final R = 0.0392 and wR = 0.1073 for 2266 observed reflections with I > 2 sigma(1). Single-crystal X-ray diffraction studies reveal that the vanadium(V) is coordinated by a tridentate ligand, methanol molecule and peroxo group to form a pentagonal-bipyramidal geometry. The crystal structure is stabilized by intermolecular hydrogen bonds of O-H center dot center dot center dot N and C-H center dot center dot center dot O.

A novel 2D supramolecular complex ·(C9H11N3OS) was synthesized by the reaction of 2-hydroxyacetophenone thiosemicarbazone,vanadyl acetylacetonate,sodium acetate,in a mixed of methanol and water.The crystal structure of title compound was reported by X-ray diffraction.The crystal is of triclinic,space group P1-with unit cell parameters:a=0.780 87(9)nm,b=1.232 82(13)nm,c=1.337 4(2)nm,α=108.708(8)°,β=91.299(8)°,γ=107.652(6)°,V=1.151 7(3) nm3,Z=2,Dc=1.420 g·cm-3,μ=0.565 mm-1,F(000)=514,R1=0.0516,ωR2=1.1022.The coordination geometry of the V(Ⅳ) atom was a ideal octahedral configuration.The complex are assembled by hydrogen bonds and π-π interactions into a 2D layer supramolecular structure.The luminescent and TGA properties of the complex have been further studied and discussed.CCDC:764394.

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甲醇和水混合溶剂中,邻羟基苯乙酮缩氨基硫脲（L=C9H11N3OS）和乙酰丙酮氧钒VO（acac）2,在醋酸钠存在下反应,得到一种新颖的二维层状超分子配合物[VO（acac）2（H2O）].（C9H11 N3OS）.通过红外光谱和X-射线单晶衍射对其进行结构表征.该晶体属三斜晶系,P1-空间群,晶胞参数为：a=0.780 87（9）nm,b=1.232 82（13）nm,c=1.337 4（2）nm,α=108.708（8）°,β=91.299（8）°,γ=107.652（6）°,V=1.151 7（3）nm3,Z=2,Dc=1.420 g.cm-3,μ=0.565 mm-1,F（000）=514,R1=0.051 6,ωR2=1.102 2.其中钒中心为六配位的近乎理想的八面体构型.通过氢键和π-π相互作用形成独特的二维层状超分子结构.同时研究了该配合物的荧光性质和热稳定性.CCDC：764394.

Two novel supramolecular complexes,[Co(OBT)(2,6-pdc)(H2O)2]·3H2O(1) and[Ni(OBT)(2,6-pdc)(H2O)2]·2H2O(2),were synthesised and characterized by X-ray diffraction.The complex 1 crystallized in the triclinic space P-1 with a=0.67 000(13) nm,b=1.0 080(2) nm,c=1.0 100(2) nm,α=104.21(3)°,β= 106.91(3)°,γ= 94.94(3)°,V=0.6 235(2) nm3,Z= 2.The complex 2 crystallized in the triclinic space P-1 with a=0.75 833(15) nm,b=1.1 333(2) nm,c= 1.1 531(2) nm,α=104.74(3)°,β= 106.63(3)°,γ= 95.17(3)°,V=0.9 040(3) nm3,Z= 2.The central atoms of the two complexes both present octahedral coordination geometry.3-D network structures were formed via hydrogen bonds and π-π interaction.

Green chemistry is a kind of science and technology that has developed with environmental problem,and is a scientifical way to prevent and eliminate pollution.In this paper,based on the specialty construction requirement and course content,the teaching reformation of green chemistry is discussed.The purpose is to improve the students' quality while providing the knowledge.

A novel 2-dimensional Cu-V inorganic-organic hybrid polyoxovanadate,Cu(phen)H_2O}{Cu(phen)}-V_4O_7(OH)(PO_4)_3H_2O(1,phen=o-phenanthroline),was synthesised and characterized by X-ray diffraction.The complex crystallized in the triclinic space P-1 with a=(0.743 31)(15) nm,b=(1.158 1)(2) nm,c=(2.076 8)(4) nm,α=87.56(3)°,β=82.44(3)°,γ=73.37(3)°,V=(1.698 1)(6) nm~3,Z=2,R(int)=0.273,R_1=(0.083 4),wR_2=(0.229 5).In complex 1 two independent Cu atoms present two kind of coordination geometries,square pyramid and square plane.There is a V_4O_4 cubic cluster and left and right helical chains in complex 1.The structure is unique.

Inorganic-organic hybrid polyoxovanadate have various structures, and considerable efforts have been devoted to the research of these compounds due to their wide potential applications to material science as adsorption, redox, electronic, catalytic, luminescent, magnetic, porous, and chiral materials. The research progress of inorganic-organic hybrid polyoxovanadate are reviewed in this paper. The synthesis methods of these complexes are introduced. The structures are summarized according to the mode of organic components and inorganic framework. The potential applications in ion exchange, electrochemistry, magnetism, luminescent material and catalyst are commented. The research of these materials are also prospeted.

The hydrothermal synthesis of CrCl3 center dot 6H(2)O, NaOH, 2,6-dipicolinic acid (H(2)dpa), salicylic acid (HSAL) in water and ethanol at 140 C for 5 days yields a novel 3D coordination polymer NaCr(C7H3O4N)(2)(H2O)(2) (1). In the complex, each Cr center is in a distorted octahedral environment, and coordinates to two nearly perpendicular dpa anions, which act as tridentate ligands. Na(I) is in a compact sixfold coordination with three non-coordination carbonyl oxygen atoms of neighboring asymmetric units, a carboxylate oxygen atom shares coordination with Cr(III) and two aqueous. Two adjacent asymmetric units are linked together through Na-O and a set of intermolecular hydrogen bonds, which generates the finally 3D supermolecular network structure. (c) 2009 Published by Elsevier B.V.

Two vanadium complexes with o-vanillin derivatives, [VO2(C10H11NO3](HOCH2CH2NH3) (1) and VO(C8H8NO3)(2) (2), were synthesized and characterized by FT-IR and single crystal X-ray diffraction analysis. The interaction of the two complexes with calf thymus-DNA (Ct-DNA) has been investigated by UV-Vis absorption spectroscopy, fluorescence spectroscopy, cyclic voltammetry and viscosity measurements. The results indicated that the complex 1 interacted with Ct-DNA in a non-intercalative mode, while complex 2 might be bonded to Ct-DNA through an intercalative mode.

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

A novel copper (Ⅱ) complex [Cu(PyPt)(NO3)2] (where HPyPt=N-2-Pyridyl-N'-Phenyithiourea ligand) had been prepared and structurally characterized, its DNA binding activity had also been investigated. The complex crystallizes in the triclinic system, space group P1 with cell parameters a=0.76152(15) nm, 5=0.809 57(16) nm, c=1.3113(3) nm, a=76.01(3)°,β=89.59(3)°, γ=68.24(3)°, V=0.725 5(2) nm^3 and Z=2. The interactions between the complex and calf thymus DNA had been investigated using fluorescent spectra, UV spectra and viscosity. The intrinsic binding constant (K1,) for complex to DNA was calculated to be 1.63×10^3 L•mol^(-1) CCDC: 703825.