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Water pollution by heavy metal ions especially Hg(II) and Pb(II) is one of the most important concerns because of their harmful effects on human health and environment sustainability. Here, we developed Fe3O4@TMU-32 metal-organic framework (MOF)-based nanocomposite by applying pore functionalization and surface-charge modulation strategies. Based on synergic effects of these strategies, Fe3O4@TMU-32 nanocomposite shows very high capacity toward Hg(II) and Pb(II) metal ions. TMU-32 (with formula [Zn(OBA)(DPU)]·2DMF·H2O where H2OBA and DPU are (4,4′-oxybis(benzoic acid)) and 1,3-di(pyridin-4-yl)urea)) is decorated with urea functional groups containing carbonyl and amine groups that can interact with metal ions. As results, TMU-32 show very high capacity toward Hg(II) and Pb(II) ions. To improve the TMU-32 capacity toward Hg(II) and Pb(II) cations, we tried to modulate the surface-charge of TMU-32 as a host-framework. Surface-charge modulation strategy had been conducted through encapsulation of Fe3O4 nanoparticles by TMU-32 in an in-situ synthesis procedure and synthesis of Fe3O4@TMU-32 nanocomposite. Fe3O4@TMU-32 nanocomposite shows improved removal capacity (45 % and 54 % toward Pb(II) and Hg(II)) rather pristine TMU-32 framework because of urea decorated framework and charge modulated surface. Fe3O4@TMU-32 nanocomposite adsorb 1600 mg.g-1 of Pb(II) and 905 mg.g-1 of Hg(II) which extremely rare in the literature. Such improvement can be related to the electrostatic interaction between cationic nature of Pb(II) and Hg(II) and negative charge of the Fe3O4@TMU-32 adsorbent.

A new binuclear silver complex, [Ag2(FcCOO)2(dppm)2].2CH3CN, Fc-COOH = ferrocenecarboxylic acid, dppm = bis(diphenylphosphino)methane, with the ability to form binding with DNA molecule, was synthesized and its structure determined by elemental analysis, FT-IR, 13C NMR, 31P NMR and X-ray crystallography. Considering the potential of the complex A1 in the cancer treatment, the interaction of this complex with calf thymus DNA (CT-DNA) was investigated by using electronic absorption spectra, fluorescence and redox behavior techniques. The experimental results showed that there is an electrostatic interaction between complex and CT-DNA.

To study of the interactions of two new ruthenium(II) complexes (C1 and C2) with calf thymus (CT)-DNA; production of RuOComplex C1 was characterized by x-ray crystallography. The binding of the complexes with (CT)-DNA was studied using techniques that include electronic absorption spectra, fluorescence and redox behavior. The preparation of RuOThe interaction mode of DNA with complexes is the type of electrostatic. It was revealed that sonication of the samples, before thermal decomposition, has been affected the morphologies and sizes of the resulting nanoparticles.The complexes are capable of interaction with DNA molecules and they have a good potential to prepare nanostructures.

A Cu-doped zeolite ZSM-5 (Cu-ZSM-5-M) with a micro-meso-macroporous structure was directly synthesized, and it exhibits excellent catalytic activity and good recyclability in the cross-coupling of aryl halides with diphenyl disulfides. This feature should be attributed to the structural characteristics of meso-macropores and homogeneous dispersion of active Cuδ+ (δ < 2) species in Cu-ZSM-5-M.

Two novel Ru(II) complexes [(η

Residual dipolar couplings (RDC) emerged to be an important structural parameter for organic and biomolecules. Herein, a new helical polyisocyanopeptide (l,l-PIAF-OBn) that forms lyotropic liquid crystals (LLC) in CDCl3 is proposed as a novel weakly orienting medium for acquiring residual dipolar couplings (RDCs) of organic molecules. We demonstrate its application for the structural elucidation of strychnine and triptolide.

Nanostructures of three new cobalt(II) complexes, (CoL1)·0.5DMF·1.5MeOH (1), [H2L1=5-(4-Carboxy phenyl azo) anthranilic acid], (Co(L2)2)·1.5MeOH (2), [HL2=5-(4-Carboxy phenyl azo) salicylaldehyde] and (Co(L3)2)·0.5DMF·0.5MeOH (3), [HL3=1-(4-Carboxy phenyl azo) 2-naphtol], have been synthesized by the reaction of H2L1, HL2 and HL3 with Co(OAc)2·4H2O through sonochemical process. Calcination of the nano-sized compounds 1-3 yield Co3O4 nanoparticles at 450°C under air atmosphere. These nanostructures were characterized by X-ray powder diffraction (XRD) and Scanning Electron Microscopy (SEM). Thermal stability of compounds 1-3 was studied by thermogravimetric (TG) and differential thermal analyses (DTA).

The post-synthetic cation exchange process of an anionic metal–organic framework [HDMA] 2 [Zn 2 (BDC) 3 (DMA) 2 ] 6DMF (HDMA + : dimethylamonnium, BDC 2− : 1,4-benzenedicarboxilate, DMA: dimethylamine, DMF: N,N′-dimethylformamide) has been discussed. The [NH 2 Me 2 ] + (dimethylammonium) which exist in pores was exchanged with series of organic cations such as TMA + (tetramethylammonium), TEA + (tetraethylammonium), TPA + (tetrapropylammonium) and TBA + (tetra-n-butylammonium). Powder X-ray diffraction (PXRD), infrared spectroscopy (IR) and hydrogen nuclear magnetic resonance ( 1 H NMR) of the samples were reported. The ZnO nanostructures were obtained by direct calcination of the cation exchanged MOFs and determined by scanning electronic microscope (SEM).

A three-dimensional porous coordination polymer, [Pb(4-bpdh)(NO 3 )(H 2 O)] n ( TMU-1 ), has been synthesized with reaction of lead(II) nitrate and 2,5-bis(4-pyridyl)-3,4-diaza-2,4-hexadiene (4-bpdh). When solid TMU-1 was immersed in the ethanol solution of AgNO 3 for 5, 15 or 60 min and 20 h at room temperature, solid including Ag nanoparticles is formed ( Ag@TMU-1 ), as evidenced by HRTEM images and EDX spectrum. The visible fluorescence study of Ag@TMU-1 is another evidence for loading of silver nanoparticles on TMU-1 . Silver oxide and silver nanoparticles supported on nanocrystalline PbO were synthesized by heating of Ag@TMU -1 in air and Ar at 600 °C, respectively. The visible fluorescence study of Ag@TMU-1 is another evidence for loading of silver nanoparticles on TMU-1 .

The ichthyofauna of mountain streams in the Danzhangshan Nature Reserve (DNR) and the Raoheyuan Nature Reserve (RNR) was investigated during 2008. A total of 385 samples were collected and classified into seven families and 14 species from the two nature reserves. There were 12 species belonging to seven families in the RNR, while eight species from four families were collected in the DNR. Overall, six species were found to be endemic to China, representing five families. The relative abundance of endemic species to China was higher in the RNR than in the DNR. Current threats to conservation of fishes in both nature reserves were reviewed and management solutions are suggested. Key words: Fish, species, diversity, conservation, nature reserve, China.

A series of new Ru(II) half-sandwich complexes with the general formula [(arene)Ru(L)Cl2], where L is a monodentate amine ligand and arene is a p-cymene or benzene ring, were synthesized and characterized and their supramolecular structures were analyzed. The crystal packing of these compounds was studied using geometrical analysis, Hirshfeld surface analysis and theoretical calculations. Our study reveals the importance of three common hydrogen bonding motifs as the primary factor controlling the supramolecular architecture of this series of complexes. Furthermore, the role of an amine ligand substituent could be different depending on the type of interactions that occurs between functional groups. Interestingly, homomeric self-complementary intermolecular interactions are formed when the ancillary ligand contains benzyl cyanide or alkyl 4-aminobenzoate. These non-conventional interactions could be promising for the design of organometallic supramolecular arrays.

Zeolite nanofiber assemblies (HNB-MOR) as efficient heterogeneous catalysts for the formation of a range of acetals in good yields. The mesoporosity of HNB-MOR benefits mass transfer, and the strong acidic sites on HNB-MOR facilitate acetalization activity. The catalyst can be reused 10 times without loss of activity.

Jinggangshan National Nature Reserve is located in the middle reach of the Luoxiao Mountains in the south-western Jiangxi Province. The fish fauna of mountain streams in the nature reserve was investigated seasonally during 2011. A total of 553 samples were collected and classified into 12 families and 38 species. The samples collected in the nature reserve did not include any exotic species. The most abundant fish species collected was Pseudogastromyzon changtingensis tungpeiensis, followed by Acrossocheilus parallens, Rhinogobius cliffordpopei and Rhinogobius giurinus. A total of 16 species were found to be endemic to China. Current threats to the conservation of fishes in the nature reserve were reviewed and management solutions were suggested.

Triticum aestivum-Hayaldia villosa translocation line V3 has shown effective all-stage resistance to the seven dominant pathotypes of Puccinia striiforms f. sp. tritici prevalent in China. To elucidate the genetic basis of the resistance, the segregating populations were developed from the cross between V3 and susceptible genotype Mingxian 169, seedlings of the parents and F_2 progeny were tested with six prevalent pathotypes, including CYR29, CYR31, CYR32-6, CYR33, Sun11-4, and Sun11-11, F_1 plants and F_3 lines were also inoculated with Sun11-11 to confirm the result further. The genetic studied results showed that the resistance of V3 against CYR29 was conferred by two dominant genes, independently, one dominant gene and one recessive gene conferring independently or a single dominant gene to confer resistance to CYR31, two complementary dominant genes conferring resistance to both CYR32-6 and Sun11-4, two independently dominant genes or three dominant genes (two of the genes show cumulative effect) conferring resistance to CYR33, a single dominant gene for resistance to Sun11-11. Resistance gene analog polymorphism (RGAP) and simple-sequence repeat (SSR) techniques were used to identify molecular markers linked to the single dominant gene (temporarily designated as ＂YrV3＂) for resistance to Sun11-11. A linkage map of 2 RGAP and 7 SSR markers was constructed for the dominant gene using data from 221 F2 plants and their derived F2:3 lines tested with Sun11-11 in the greenhouse. Amplification of the complete set of nulli-tetrasomic lines of Chinese Spring with a RGAP marker RG1 mapped the gene on the chromosome 1B, and then the linked 7 SSR markers located this gene on the long arm of chromosome 1B. The linkage map spanned a genetic distance of 25.0 cM, the SSR markers ＂Xgwm124＂ and ＂Xcfa2147＂ closely linked to ＂YrV3＂ with genetic distances of 3.0 and 3.8 cM, respectively. Based on the linkage map, it concluded that the resistance gene ＂YrV3＂ was located on chromosome arm 1BL. Given chromosomal location, the reaction patterns and pedigree analysis, ＂YrV3＂ should be a novel gene for resistance to stripe rust in wheat. These closely linked markers should be useful in stacking genes from different sources for wheat breeding and diversification of resistance genes against stripe rust.

Two new monofunctional ruthenium(II) arene complexes of the type [(η6-arene)Ru(ethylenediamine)(X)]n+ where arene is substituted benzene (p-cymene), and X are halide (Br and Cl), [(η6-p-cymene)Ru(en)Br]Br (1) and [(η6-p-cymene)Ru(en)Cl]PF6 (2), have been investigated. The X-ray crystal structures of both organoruthenium(II) complexes are reported. Both two complexes have “piano stool” geometries with η6 coordination of the arene ligand. RuO2 nanoparticles were simply synthesized by solid-state transformation of compounds 1 and 2 at 400 °C under air atmosphere. The results show that the size and morphology of the RuO2 nanoparticles are dependent upon the starting organometallic ruthenium(II) complexes.

The polyester fiber containing Ag nanoparticles was prepared through the chemical reduction under ultrasound irradiation. Influences of reduction reagents on the morphological properties of Ag nanoparticles@polyester fiber were studied. The sizes of metallic nanoparticles vary significantly with the types of reduction reagents used in the synthesis. A strong reduction reaction promotes a fast reaction rate and favors the formation of smaller nanoparticle. A weak reduction reagent induces a slow reaction rate and favors relatively larger particles. The products were investigated by means of scanning electron microscopy (SEM) and X-ray powder diffraction (XRPD).

To develop alkyl halides for a promising prodrug system, a 5-fluorouracil prodrug containing a bromoethyl group (5-FUBr) was synthesized and its hydrophobicity, cytotoxicity and DNA-bonding ability were investigated in detail. Compare with 5-fluorouracil, 5-FUBr exhibits a great advantage of hydrophobicity and shows significant reduction in toxic side effect. To explore the mechanism of action of 5-FUBr at the molecular level, X-ray crystallography and molecular docking were exploited to make a more detailed analysis of the bromoethyl contribution to the construction of meaningful structure–activity relationship. Details of X-ray crystal structure of 5-FUBr suggest that 5-fluorouracil may be more apt to be released from 5-FUBr. The appearance of the bromoethyl group in 5-FUBr makes a remarkable impact on inhibition of thymidylate synthase (TS), and the impact of subtle structural variation between 5-fluorouracil and 5-FUBr should be taken into account in the process of developing this family of 5-fluorouracil prodrugs.

To integrate the respective advantages exhibited by half-sandwich arene-Ru(II) fragments and 5-FU derivatives, a multifunctional ligand that links isonicotinic acid and 5-Fu (5-fluorouracil) through an ester bond for achieving the enhanced effect and an organoruthenium(II) complex containing this ligand were prepared and characterized by standard analytical techniques. The cytotoxicity of these organoruthenium(II) compounds containing 5-fluorouracil-1-methyl isonicotinate against BEL-7402 human cancer cells was moderately improved, which implies synergistic action of 5-Fu and the half-sandwich-structured arene-Ru(II). In addition, the organoruthenium(II) compounds containing isonicotinic acid and methyl isonicotinate are also discussed, and the crystal structure of [(η6-p-cymene)RuCl2(methyl isonicotinate)] (4) was determined; its piano-stool structure is analyzed in this paper.

In recent years, the chemistry of metal-coordination polymers has been advanced due to their diverse topologies and potential applications in smart optoelectronic, magnetic, microporous and biomimetic materials with specific structures, properties, and reactivities. Metal carboxylates have emerged as a large family of open framework materials. Recently, metal carboxylate chemistry has enhanced because of the increasing importance of hybrid inorganic–organic compounds with potential applications in separation, catalysis, and gas storage. So far, research on coordination polymers has considerably been concentrated on incorporation of s-, d-, and even f-block metal ions as coordination centers. As a heavy p-block metal ion, lead(II), with its large radius, flexible coordination environment, and variable stereo-chemical activity, is suitable for formation of unusual network topologies with interesting properties. This review provides an overview of all lead(II) carboxylate supramolecular compounds reported since 1990 and an investigation of their coordination modes, properties and structures. The variety of coordination modes of carboxylate groups increase the strength and stability of the resulting architectures. These modes include (η1), (μ2-η1:η1), (η2), (μ2-η2), (μ3-η1:η2), (μ3-η1:η2), (μ2-η2:η1), (μ3-η1:η2:η1) and (μ4-η2:η2) that have created multiplicity polymeric structures with different dimensions. In this study it was found that carboxylate groups in many of lead(II) coordination polymers form more than a single type of coordination mode and among all of these modes maximum number belonged to chelating (η2) mode.

3D nanoporous coordination framework [Ni2(nic)4(H2O)]n(nic=Nicotinic acid) was obtained hydrothermally from a mixture of NiCl2.6H2O and 3-cyanopyridine. X-ray single crystal analysis revealed that it consists of “mushroom-shaped” channels along a axis suitable for gas storage. N2-adsorption studies at 77 K revealed a Langmuir surface area of 200 m2/g and a pore volume of 0.12 cm3/g. The compound shows dynamic dehydration and rehydration behaviors with the formation of 0D coordination [Ni(nic)2(H2O)4], accompanied by crystal-to-crystal transformation. The structural transformation significantly changes the character of magnetic exchange interactions and gas storage.

The title complex [(H2O)2(IMI)3Ni(TCB)Ni(IMI)3-(H2O)2] H2O (TCB = 1,2,4,5-benzenetetracarboxylato te-travalent anion; IMI = imidazole) has been prepared by the reaction of Ni(IMI)3(Ac)2 and TCB in aqueous solution. The crystal structure has been determined by single-crystal X-ray diffraction method. It crystallizes in the monoclinic system, space group P21/c(# 14), a = 1.2714(4) nm, b = 0.9411 (3) nm, c = 1.5869(4) nm, β= 108.54(2)°, V= 1.8001(9) nm3, Z = 2. The main feature of the crystal structure is a symmetric binuclear unit made up of two slightly distorted coordination octahedrons, which are bridged by TCB in monodentate fashion to each metal ion. Moreover three nitrogen atoms from three imidazoles, three oxygen atoms from two water molecules and one carboxylate group of TCB coordinated to a nickel (I) ion are found on a face of the octahedron respectively, so the octahedron is a facial isomer.

A novel Co (II) - Na (I) heterometallic coordination polymer {[CoNa (NTA) (H2O)3] · 2H2O}n (NTA = nitrilotriacetate) was synthesized and characterized by elemental analysis and X-ray diffraction study. The electrochemical behavior in aqueous solution was measured by cyclic voltammetry, indicating a quasi-reversible process. The complex crystallizes in the orthorhombic space group Pbca with the cell parameters a = 1.47276 (3) nm, b = 0.97280 (3) nm, c = 1.92946 (6) nm, V = 2.76434 (13) nm3, Z = 8. In the title complex, there are two kinds of zigzag chains which interconnect together to form 2D network. One stretches along the b-axis, comprising Co (II) ions, the other stretches along the c-axis, comprising Na (I) ions.

Novel sulfonyl 5-fluorouracil derivatives 2 (5-fluoro-1-(arylsulfonyl)pyrimidine-2,4(1H,3H)-diones) have been synthesized via the reaction of 5-fluorouracil with sulfonyl chloride. Their chemical structures were confirmed by means of 1H NMR, 13C NMR, IR, mass spectra, and elemental analyses, and, in the case of 2a, its structure was established by single crystal X-ray diffraction. Some of the compounds were assayed for anticancer (HL-60 and BEL-7402 cells) activities. Structure–activity relationship (SAR) analysis discovered that the anticancer activity was related to the configuration, and that electron-withdrawing groups at 2-position or 4-position on the aryl group of arylsulfonyl derivatives of 5-fluorouracil could enhance the anticancer activity against the BEL-7402 cells. Supplemental materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfur, and Silicon and the Related Elements to view the free supplemental file.

A new anticarcinogenic Gly–Gly dipeptide derivative, methyl 2-(2-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido) acetate, has been synthesized and identified by means of elemental analysis, IR, 1H NMR, 13C NMR, DSC–TGA and X-ray diffraction. It crystallizes in space group P−1 with a = 4.873(4), b = 9.118(7), c = 12.564(10) A, α = 97.048(15)°, β = 96.159(16)°, γ = 104.987(15)°, Z = 2, V = 533.6(7) A3, C9H10FN3O5, Mr = 259.2, Dc = 1.613 g/cm3, μ = 0.143 mm−1, F(0 0 0) = 268, R = 0.0626 and wR = 0.1284. In solid state, two adjacent molecules of the title compound are tied to form analogous antiparallel β-sheet arrangement typical of the Gly–Gly dipeptide sequence. The biological test shows that the title compound has certain anticarcinogenic activity, and the cyclic voltammetry test shows the title compound interacts with DNA more strongly than 5-fluorouracil does.

Two new peptide compounds, 2(s)-(5-fluorouracil-1-aceto)amino-2-isopropyl acetate hemihydrate (1:1/2H 2 O) and 2(s)-(5-fluorouracil-1-aceto)amino-2-isopropyl acetic acid (2), have been synthesized and characterized by elemental analysis, IR, 1H- and 13C NMR spectroscopy. Two new compounds were structurally characterized by single-crystal X-ray diffraction. The thermal stabilities of compounds 1:1/2H 2 O and 2 were studied by DSC-TGA techniques. The result of the biological test showed that the compounds 1:1/2H 2 O and 2 have certain antitumor activities. Two new peptide compounds, 2(s)-(5-fluorouracil-1-aceto)amino-2-isopropyl acetate hemihydrate (1:1/2H2O) and 2(s)-(5-fluorouracil-1-aceto)amino-2-isopropyl acetic acid (2), have been synthesized and characterized by elemental analysis, IR, 1H-, and 13C NMR spectroscopy. Two new compounds were structurally characterized by single-crystal X-ray diffraction. The thermal stabilities of compounds 1:1/2H2O and 2 were studied by DSC-TGA techniques. The result of the biological test showed that the compounds 1:1/2H2O and 2 have certain antitumor activities.

A mixed-anion mercury(II) complex of 2,2′-bipyridine (bipy), [Hg(bipy)2(CH3COO)]2(SO4) · 0.5NaCl has been synthesized and characterized by elemental analysis, IR-, 1H NMR- and 13C NMR spectroscopy and the structure of this compound determined by single-crystal X-ray diffraction. The thermal stability of this compound was studied by thermal gravimetric (TG) and differential thermal analyses (DTA). The complex is a monomer and there are two different Hg atoms with unsymmetrical six-coordinate geometry, formed by four nitrogen atoms of the bipy ligands and two oxygen atoms of the acetate anion. There are short intermolecular C–H ··· O interactions in the packing of this compound.

A new dipeptide compound, (R)-2,4-dioxo-5-fluoro-1-[1-(methoxycarbonyl) ethylaminocarbonylmethyl]-1,2,3, 4-tetrahydropyrimidine (5-FUAPM), has been synthesized and identified by means of elemental analysis, IR, 1H NMR and 13C NMR spectra. The single crystal of compound 5-FUAPM·DMF was also obtained and characterized by DSC-TGA techniques. The crystal belongs to orthorhombic space group P2121 21 with the cell parameters: a=0.4740(7) nm, b=1.923(3) nm, c=1.9229 nm, α=β=γ=90°, V=1.753 nm3, Z=4, Dc=1.312 g/cm3, Mr=346.32, F(000) =728 and μ=0.111 mm−1. The final R and wR are 0.1378 and 0.2862, respectively. The result of the biological test showed that the compound 5-FUAPM has certain antitumor activities.

The activity of the catalytic system is attributed to the structural characteristics of meso-macropores and homogeneous dispersion of active Cuδ+ (δ

A new TbIII complex of 5-fluorouracil-1-acetate (5-FUA) and 1,10-phenanthroline(phen), [Tb(phen)(5-FUA)3] n · H2O, has been synthesized, characterized by elemental analysis, IR spectroscopy, XRD powder diffraction, thermal analysis and its structure has been determined by X-ray crystallography. The structural studies show that compound to be a two-dimensional coordination polymer and the Tb atoms to have ten-coordinate geometry, TbN2O8. Self-assembly of this compound in the solid state is likely caused by N–H· · ·O, O – H· · ·O and O–H· · ·F hydrogen bonding.

Two novel PbII compounds [Pb(endc)2(phen)]n and [Pb(endc)(phen) · 3H2O]2 (endc and phen are the abbreviations of endonorbornene-cis-5,6-dicarboxylate anion and 1,10-phenanthroline, respectively) have been synthesized and characterized by single-crystal X-ray diffraction. [Pb(endc)2(phen)]n is a nine-coordinated catenulate-like polymer, and [Pb(endc)(phen) · 3H2O]2 is a hepta-coordinated dimer; both of them hold hemidirected coordination geometries. To the best of our knowledge, [Pb(endc)2(phen)]n is first hemidirected PbII coordinate with the coordination number of 9. For both compounds, the Pb–N, Pb–O(carboxyl) and Pb–O(carbonyl) bonds on the side away from lone pair of PbII are shorter than the rest of the same type, respectively; and these bonds become progressively longer, as they are arranged at the site nearer to the lone pair.

Two lanthanum(III) complexes of 1,10-phenanthroline (phen) with anionic uracil-1-acetato and 5-fluorouracil-1-acetato ligands, [ La(phen) X 3 ] n , X=Uracil-1-Acetate (UA) and 5-Fluorouracil-1-Acetate (5-FUA), have been synthesized and characterized by elemental analysis and IR spectroscopy and studied by XRD powder diffraction, thermal analysis and X-ray crystallography. The single crystal X-ray analyses show that each lanthanum(III) ion is coordinated by two N atoms from phen, seven carboxylate oxygen atoms and one carbonyl oxygen atom from “UA” and “5-FUA” anions, resulting in a distorted bicapped square antiprism geometry. Packing of these compounds in the solid state via hydrogen bonding is discussed.

A novel 2D polymeric PbII complex containing the first Pb–O bond, [Pb(5-FUOAc)2]n (5-FUOAc = 5-fluorouracil-1-acetate), has been synthesized and characterized. The single-crystal X-ray data shows the coordination number in PbII ions is seven, PbO7, with “stereo-chemically active” electron lone pairs, and the coordination sphere is hemidirected.

A dicyanamide (dca) Cu(II) supramolecular complex constructed by hydrogen-bond interactions and weak Cu–N bond interactions has been prepared and the structure was determined by X-ray diffraction analysis. The magnetic studies indicate that strong antiferromagnetic interactions exist between two Cu(II) ions of the dca-bridged dimer.

A novel europium(III) coordination polymer, [Eu2(bpdc)3(phen)2(H2O)2] n ·nH2O (1) (bpdc = biphenyl-2,2′-dicarboxylate; phen = 1,10-phenanthroline), has been hydrothermally synthesized and structurally characterized by single-crystal X-ray diffraction methods. Complex 1 is monoclinic, space group C2/c, with a = 24.3862(6), b = 12.0792(3), c = 22.9120(5) A, α = 90.00, β = 115.160(1), γ = 90.00°, V = 6108.8(3) A3, Z = 4, final R 1 = 0.0605 and wR 2 = 0.1760. Each Eu(III) ion is coordinated by six oxygen atoms from three carboxylate groups of three different bpdc anions, an oxygen atom from one coordinated water molecule and two nitrogen atoms from one phen ligand to complete a deformed monocapped square antiprism. Each pair of bpdc anions acts as a tetradentate ligand to connect two adjacent Eu(III) ions through chelating carboxylate groups, resulting in a centrosymmetric binuclear unit. Each binuclear unit links two adjacent binuclear units through two terminal bpdc anions to produce a one-directional zigza...

Phenomenon of molecular recognition between honokiol and 1,4-diazabicyclo[2.2.2]octane (DABCO) is discovered, and applied to separation of honokiol from extract of magnolia bark. Effects of material ratio on the yield and the purity were investigated. Honokiol (purity up to 97.3% and yield up to 83.9%) is obtained from Magnolia bark extract (honokiol 49.1%, magnolol 31.7%, others unknown 19.2%) on a favorable condition. The title complex, C18H18O2·C6H12N2, is characterized by IR and 1HNMR and its crystal structure is determined by X-ray diffraction method. It crystallizes in monoclinic space group C2/c with a=38.860(3), b=9.205(3), c=12.588(4) A, β=102.730(10)°, V=4392(2) A3, Z=8 and R=0.0500. Hinokiol molecules join to DABCO via O–H...N hydrogen bonds to form infinite chains. There are two symmetry independent DABCO molecules occupying in the crystal special positions of different point symmetries, C2 and Ci. Those located around the inversion center are disoredered as DABCO molecule is devoid of this symmetry element.

In the title complex, C13H11N3O6, it is observed that the very strong NHO [N⋯sO 2.525(2) A] holds the molecules of 3,5-dinitrobenzoic acid and 4-methylpyridine together, and that the hydrogen atom is centered between the hydrogen donor and acceptor in that hydrogen bond. The heterocyclic moiety appears as an intermediate between pyridine and pyridinium, while the benzoic acid between carboxylate and carboxylic group. The title complex is further stabilized by CHO hydrogen bonds and π–π interaction.

In the two related polymeric title compounds, [[La2(sip)2(phen)2(H2O)3].H2O]n [sip is the 5-sulfonatoisophthalate trianion (C8H3O7S3-) and phen is 1,10-phenanthroline (C12H8N2)], (I), and [[La(sip)(H2O)3].H2O]n, (II), the lanthanum(III) ions are nine-coordinate, with similar distorted monocapped square-antiprism coordination geometry. The two crystal structures are very different. In (I), the sip anion acts as a pentadentate ligand, one of the coordinated water molecules lies on a twofold axis and further inversion, n-glide and translation operations generate a two-dimensional framework. In (II), the sip anion functions as a hexadentate ligand and a three-dimensional network with trinuclear 24-membered rings is developed via inversion, n-glide, twofold-screw and translation operations. Both structures also have extensive O-H...O hydrogen-bonded networks and pi-pi interactions.

A novel terbium coordination polymer {[Tb(TCB)1/2(H2TCB)1/2(H2O)](H2O)2}n (H2TCB = 1, 2, 4, 5-benzenetetracarboxylic acid) (1) has been hydrothermally synthesized and determined by single crystal X-ray diffraction method, which features a very interesting three-dimensional framework with large packing cavities. It crystallizes in the monoclinic space group P21/n with a = 1.0723(4) nm, b = 0.7168(3) nm, c = 1.7155(6) nm, β = 97.079(4)°, V = 1.3086(8) nm3, Z = 4, and final R1 = 0.0203, wR2 = 0.0404. In 1, the protonated carboxylate groups are free, the other carboxylate groups are bonded to Tb3+ ion in three modes: the chelating bidentate, the bridging bidentate and bridging tridentate. Moreover each Tb3+ ion is coordinated by nine oxygen atoms from six carboxylate groups and one water molecule respectively to complete a deformed tricapped trigonal prismatic geometry. (© 2004 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)

By replacing the distances between pairs of vertices with the relative distances, we define a novel overall hyper-Wiener index (NOR); the novel overall hyper-Wiener index extends the usefulness of the hyper-Wiener index and the overall hyper-Wiener index to unsaturated hydrocarbons.

A unique coordinated molecular capsule compound is synthesized and characterized by X-ray diffraction. The compound crystallizes in cubic space group of Pa-3 with a=14.348(1), b=14.348(1), c=14.348(1) A , V=2953.8(4) A 3 , Z=8. The diazabicyclo[2.2.2]octane-1,4-diium is occluded in the cubic anionic coordinated framework of K+ and (ClO4)− in a dimension of 7.174(1) A, and assumes ordered feature. All of hydrogen atoms take parts in trifurcated hydrogen bonds of N–H⋯O and C–H⋯O type, respectively, the later being reported for the first time. The IR spectrum of the title compound shows significant shift of CH2 vibrational bands, and are correlated with X-ray structural data.

A crystalline salt of prolinium picrate, C11H12N4O9, has been prepared and characterized by X-ray crystallography. The salt crystallizes in orthorhombic space group P212121 with a = 6.325(1)A, b = 9.269(1)A, c = 24.379(4)A, V = 1429.4(5)A3, Z = 4. In the title salt, the picrate and prolinium ion are held by different bifurcated hydrogen bonds of N-H—O type, and stablized by bifurcated hydrogen bonds of CH—O type. There exists a competion between hydrogen bonds and π–π stacking in determining the title crystal. (© 2003 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)

According to the definition of molecular connectivity and the definition of the Wiener index, a novel set of Wiener indices (mV(t)) were defined, named novel Wiener index. The potential usefulness of the novel Wiener index in QSAR/QSPR is evaluated by its correlation with a number of C(3)-C(8) alkanes and by a favorable comparison with models based on molecular connectivity index and Wiener index.

An anomalous salt in the 2:3 ratio of the original partners of 2-amino-3-methylpyridine and maleic acid, named tautomerically and structurally as the 2:1 complex of ( E )-2(1 H )-6-methyl-pyridiniminium hydrogen maleate with maleic acid, has been prepared and characterized by X-ray crystallography. The salt crystallizes in the monoclinic space group C 2/ c with a=15.891(2) A , b=5.4040(10) A , c=30.761(4) A , β =94.810(10)°, V=2632.3(7) A 3 , Z =4. The maleic acid partner adopts two forms of configuration, the hydrogen maleate anion and the original maleic acid. The hydrogen maleate anion is tied by O–H⋯O short intramolecular hydrogen bonds with a non-centered hydrogen atom, and bridged by maleic acid with hydrogen bond of OH⋯O to form whole crystal. The hydrogen maleate anion is linked to the individual pyridinium cation by intermolecular hydrogen bond of N(sp 2 )–H⋯O and N(sp 3 )–H⋯O. The heterocycle is fully protonated, which arouses amino–imino tautomerization. The geometrical arrangement in the crystal structure is characterized by the formation of laminar dimers of centrosymmetric pyridiniminium hydrogen maleate that is arranged in a manner of layer upon layer.

Three novel compounds, (η6-p-cymene)RuCl2(2-fluoro-5-aminopyridine) (compound 1), (η6-p-cymene)RuCl2(5-amino-2-chlorpyridine) (compound 2) and (η6-p-cymene)RuCl2(2-bromo- 5-aminopyridine) (compound 3), were synthesized and characterized. The compound 1 and 3 were determined by X-ray diffraction, showing a distorted piano-stool type of geometry with similar bond lengths and angles around the ruthenium. Compound 2 exhibited moderate in vitro activity against A549 and MCF-7 human cancer cells, the other two lower activities. The UV–vis and fluorescent absorption titrations showed that three compounds binded with CT-DNA in a minor groove. The intrinsic binding constants (Kb) were calculated to be 2.13(±0.03) × 105 M−1, 2.89(±0.03) × 105 M−1 and 2.45(±0.03) × 105 M−1 for compound 1, 2 and 3, respectively, by using UV–vis absorption titrations data. Among the three compound, the highest value of intrinsic binding constant of compound 2 was consistent with its highest cytoxicity against A549 and MCF-7 human cancer cells in vitro.

Two novel coordination compounds of half-sandwiched ruthenium(II) containing 2-(5-fluorouracil)-yl-N-(pyridyl)-acetamide were synthesized, and their intercalation binding modes with calf thymus DNA were revealed by hyperchromism of ultraviolet-visible spectroscopy; the binding constants were determined according to a Langmuir adsorption equation that was deduced on the base of careful cyclic voltammetry measurements. The two compounds exhibited DNA intercalation binding activities with the binding constants of 1.13×106 M-1 and 5.35 ×105 M-1, respectively.

A new crystal of 2-amino-3-methylpyridinium ortho-phthalate has been prepared and characterized by X-ray crystallography. The salt crystallizes in the monoclinic space group P21/c with a = 11.015(2) A, b = 11.057(2) A, c = 15.767(2) A, α = 90.00°, β = 96.220(10)°, γ = 90.00°, V = 1909.0(5) A3, Z = 4. In the cell unit, the phthalate anion is linked with two pyridinium cations by NHO hydrogen bond on both sites of annular and exocyclic nitrogen atoms. The two pyridinium cations are arranged in a face-to-face pattern with a dihedral angle of 7.3° and a shortest aspectant distance of 3.4(1) A between them, indicating the existence of π–π interaction. The C(5) atom is an electron donating center. The exocyclic N atom is an electron receiving center, which is consistent with features of imino resonance evidenced by bond lengths and angles. In the cell unit, two entities of pyridinium cation are aligned with each other in a face-to-face manner of electron receiving to donating center.