Application of boehmite as a fiber coating for headspace solid-phase microextraction of chlorophenols from aqueous samples.

In this paper, the extraction of chlorophenols from water samples was carried out using high surface area boehmite nanoparticles as a sorbent. The surfactant-free process employed to make the nano-boehmite used in this work was simple, green, and efficient. The proposed approach was based on headspace solid-phase microextraction, followed by GC-ECD for the determination of analytes.

Sustainable catalysts for efficient triazole synthesis: an immobilized triazine-based copper-NNN pincer complex on TiO.

The multistep synthesis of a hybrid material based on a TiO core with an immobilized triazine-based copper(II)-NNN pincer complex is reported. The formation of the material was confirmed by FT-IR spectroscopy and elemental and thermogravimetric analyses, and the loading by copper ions was quantified by ICP/OES analysis. The properties of the hybrid material were further investigated by X-ray photoelectron spectroscopy (XPS), contiuous wave electron spin resonance (CW-ESR), UV-vis spectroscopy, and argon sorption.

AMBER Force Field Parameters for Cobalt-Containing Biological Systems: A Systematic Derivation Study.

In the present work, the parameterization of a set of cobalt-containing systems has been performed to create a comprehensive library for bonding parameters of biological Co-containing systems. A standard process for the extraction and validation of parameters was employed, which could be used to create force field parameters for the other metal-containing systems. All protein data banks were searched to extract common chemical groups in bonding with cobalt, and finally, 16 structures were designed to represent the binding model of the chemical moieties with cobalt.

Simple and green synthesis of carbon dots (CDs) from valerian root and application of modified mesoporous boehmite (AlOOH) with CDs as a fluorescence probe for determination of imipramine.

A novel, sensitive, rapid, and simple fluorescent probe has been developed based on green-synthesized carbon dots (CDs). In this work, CDs have been synthesized from valerian root by hydrothermal method. Transmission electron microscopy (TEM) and dynamic light scattering (DLS) results confirm the formation of CDs with sizes of less than 10 nm.

Ultrasonic-assisted synthesis of novel nanocomposite of poly(vinyl alcohol) and amino-modified MCM-41: A green adsorbent for Cd(II) removal.

Amino-modified MCM-41/poly(vinyl alcohol) nanocomposite (M-MCM-41/PVOH NC) was developed for the adsorption of Cd(II) from aqueous media. M-MCM-41/PVOH NC was prepared through ultrasonic-assisted and simple blending procedure with economical and environmentally friendly polymer. The as-prepared adsorbent was characterized by FT-IR, TEM, FE-SEM and TGA.

Study on thermal, mechanical and adsorption properties of amine-functionalized MCM-41/PMMA and MCM-41/PS nanocomposites prepared by ultrasonic irradiation.

In this study, two common industrial polymers, poly(methyl methacrylate) (PMMA) and polystyrene (PS), were incorporated into amine-functionalized MCM-41 mesoporous silica as reinforcement agents via an ultrasonic assisted method as a facile, fast, eco-friendly, and versatile synthetic tool. Amino functionalization of MCM-41 were performed by 3-aminopropyl triethoxysilane as a coupling agent and it is denoted as APTS-MCM-41. The obtained nanocomposites (NCs), APTS-MCM-41/PMMA and APTS-MCM-41/PS, were characterized by Fourier transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD), scanning and transmission electron microscopies (SEM and TEM), and thermogravimetric analysis (TGA).

A facile, green and efficient surfactant-free method for synthesis of aluminum nanooxides with an extraordinary high surface area.

Nano boehmite with unprecedented high surface area and pore volume (802 m(2) g(-1), 2.35 cm(3) g(-1)) was prepared using a facile, green and efficient surfactant-free synthesis method. The structure of the material is characterized by the presence of plates with varying thicknesses and morphologies.

Structural and spectroscopic characterizations of aluminum phenoxide.

A synthetic route to obtain crystalline aluminum phenoxide was established. Its molecular structure in solid-state and solution is unambiguously determined by single-crystal X-ray diffraction and (1)H, (13)C and (27)Al NMR spectroscopy. The single-crystal X-ray analysis revealed the presence of the dimeric THF adduct [Al(OPh)3·THF]2 with a disordered trigonal bipyramidal geometry at the aluminum atom which is bonded to a THF ligand, two terminal and two bridging phenoxy groups (OPh).

Structural and spectroscopic characterizations of tetra-nuclear niobium(V) complexes of quinolinol derivatives.

Reactions between niobium ethoxide and 8-hydroxy-2-methylquinoline or 5-chloro-8-hydroxyquinoline have been explored. Two new tetranuclear heteroleptic niobium complexes containing oxo, ethoxo, and quinolinate chelate rings have been synthesized and characterized by (1)H, (13)C and (93)Nb NMR, UV-Vis, and FT-IR spectroscopies, and single-crystal X-ray diffraction. The molecular structures of the niobium complexes, [Nb4(μ-O)4(μ-OEt)2(ONC10H8)2(OEt)8] (I) and [Nb4(μ-O)4(μ-OEt)2(ONC9H5Cl)2(OEt)8] (II), are composed of a pair of edge-sharing bioctahedral moieties in which connected via two almost linear oxo-bridges, with a large difference in the NbO distances.

Chiral vanadium(V) complexes with 2-aminoglucose Schiff-base ligands and their solution configurations: synthesis, structures, and DFT calculations.

The sugar-modified Schiff-base ligands derived from benzyl 2-deoxy-2-salicylideneamino-α-D-glucopyranoside (H2L(5-Br) and H2L(3-OMe)) were used to prepare the chiral oxidovanadium(V) complexes [VO(L(5-Br))(OMe)] (1) and [VO(L(3-OMe))(OMe)] (2) which can be isolated from a methanol solution as the six-coordinate complexes with an additional methanol ligand [VO(L(5-Br))(OMe)(MeOH)] (1-MeOH) and [VO(L(3-OMe))(OMe) (MeOH)] (2-MeOH). Both complexes crystallize in the orthorhombic space group P2(1)2(1)2(1) together with two solvent molecules of methanol as 1-MeOH·2MeOH and 1-MeOH·2MeOH. In both crystal structures, only diastereomers with A configuration at the chiral vanadium centre (OC-6-24-A) are observed which corresponds to an cis configuration of the oxido group at the vanadium centre and the benzyl group at the anomeric carbon of the sugar backbone.

A single source precursor for low temperature processing of nanocrystalline MgAl2O4 spinel: synthesis and characterization of [MgAl2(μ3-O)(μ2-O(i)Pr)4(O(i)Pr)2]4.

A novel polynuclear single-source precursor was prepared and characterized by single-crystal X-ray diffraction and multinuclear NMR spectroscopy. Nano-crystalline MgAl(2)O(4) spinel was synthesized via sol-gel processing of [MgAl(2)(μ(3)-O)(μ(2)-O(i)Pr)(4)(O(i)Pr)(2)](4). XRD, TGA-DSC and HRTEM confirmed the formation of a spinel phase at 475 °C, a temperature lower than any known processing temperature for MgAl(2)O(4).

Two polymorphs of a lead(II) complex with 8-hydroxy-2-methylquinoline and thiocyanate.

Two distinct polymorphs of bis(mu(2)-methylquinolin-8-olato)-kappa(3)N,O:O;kappa(3)O:N,O-bis[(isothiocyanato-kappaN)lead(II)], [Pb(2)(C(10)H(8)NO)(2)(NCS)(2)], (I), forming dinuclear complexes from a methanolic solution containing lead(II) nitrate, 2-methylquinolin-8-ol (M-Hq) and KSCN, crystallized concomitantly as colourless prisms [form (Ia)] and long thin colourless needles [form (Ib)]. In both cases, the complexes lie across a centre of inversion. The polymorphs differ substantially in their conformation and in their interactions, viz.

Di-μ-azido-κN:N-bis-[(1,10-phen-anthroline-κN,N')(thio-cyanato-κN)lead(II)].

In the centrosymmetric binuclear title compound, [Pb(2)(N(3))(2)(NCS)(2)(C(12)H(8)N(2))(4)], the N-donor atoms of one N-heterocycle and the N-donor atom of a thio-cyanate anion along with the sterically active lone-pair electrons comprise an approximate square; a plane through three atoms of this square is twisted slightly with respect to the square made up of the other four atoms (two from the other N-heterocycle and one each from the bridging azide anions) at a dihedral angle of 18.7 (1)°. The Pb(II) atom is in a Ψ-square-anti-prismaic coordination.

Bis(μ-quinoline-2-carboxyl-ato)-κN,O:O;κO:N,O-bis-[(acetato-κO,O')(methanol-κO)lead(II)].

The dinuclear title compound, [Pb(2)(C(10)H(6)NO(2))(2)(CH(3)COO)(2)(CH(3)OH)(2)], lies across an inversion center. The methanol-coordinated Pb(II) atom is chelated by the acetate anion as well as by the quinoline-2-carboxyl-ate anion. One O atom of the quinoline-2-carboxyl-ate anion bridges two symmetry-related Pb(II) atoms, forming the dinuclear compound.

Bis(quinoline-2-carboxyl-ato-κN,O)lead(II).

The Pb(II) atom in the title compound, [Pb(C(10)H(6)NO(2))(2)], is N,O-chelated by two quinoline-2-carboxyl-ate anions in a distorted Ψ-trigonal-bipyramidal environment; four atoms are connected to the Pb(II) atom by regular coordination bonds. The structure also features two somewhat long Pb⋯O inter-actions [2.952 (3) and 3.

catena-Poly[[(1,10-phenanthroline-κN,N')lead(II)]-μ-azido-κN:N-μ-nitrito-κO,O':O'-[(1,10-phenanthroline-κN,N')lead(II)]-di-μ-azido-κN:N].

The title coordination polymer, [Pb(2)(N(3))(3)(NO(2))(C(12)H(8)N(2))(2)](n), has as the repeat unit a centrosymmetric dinuclear mol-ecule having azide and nitrite groups that bridge adjacent heterocycle-coordinated metal centers. One of the azide group uses its terminal ends to bridge whereas the nitrite group chelates to one metal atom and uses one of its O atoms to bridge. The azide and nitrite groups are disordered with respect to each other in a 1:1 ratio.

8-Hydr-oxy-2-methyl-quinolinium tetra-chlorido(quinolin-8-olato-κN,O)stannate(IV) acetonitrile monosolvate.

In the title solvated salt, (C(10)H(10)NO)[SnCl(4)(C(9)H(6)NO)]·CH(3)CN, the Sn(IV) atom is chelated by the N,O-bidentate 8-hydroxy-quinolinate ligand and four chloride ions, generating a distorted SnONCl(4) octa-hedral coordination geometry for the metal. In the crystal, the cations are linked to the anions and the solvent mol-ecules by O-H⋯O and N-H⋯N hydrogen bonds, respectively.

Bis(2-methyl-quinolin-8-olato-κN,O)-lead(II).

The Pb(II) atom in the title compound, [Pb(C(10)H(8)NO)(2)], is chelated by two oxine (2-methyl-quinolin-8-olate) anions in a Ψ-trigonal-bipyramidal geometry; the N atoms occupy the axial sites. The mol-ecule lies about a twofold rotation axis.

Bis(μ-2-methyl-quinolin-8-olato)-κN,O:O;κO:N,O-bis-[(acetato-κO)(methanol-κO)zinc(II)].

The reaction of zinc acetate and 2-methyl-8-hydroxy-quinoline in methanol yielded the centrosymmetric dinuclear title compound, [Zn(2)(C(10)H(8)NO)(2)(CH(3)CO(2))(2)(CH(3)OH)(2)], which has the Zn atom within a distorted NO(4) trigonal-bipyramidal coordination geometry. Methanol-acetate O-H⋯O hydrogen bonds link the dinculear units into a linear supra-molecular chain extending parallel to [100].

8-Hydr-oxy-2-methyl-quinolinium dichlorido(2-methyl-quinolin-8-olato-κN,O)zincate(II) methanol solvate.

The reaction of zinc chloride and 2-methyl-8-hydroxy-quinoline in methanol yielded the title monosolvated salt, (C(10)H(10)NO)[ZnCl(2)(C(10)H(8)NO)]·CH(3)OH, which has the Zn atom within a distorted Cl(2)NO tetra-hedral coordination geometry. Supra-molecular chains feature in the crystal structure, comprising all components of the structure stabilized by a combination of O-H⋯O, N-H⋯O and O-H⋯Cl hydrogen bonding.

Bis(acetato-κO)bis-(μ(3)-quinolin-8-olato-κN,O:O:O)tetra-kis(μ(2)-quinolin-8-olato-κN,O:O)tetra-zinc(II) dihydrate.

In the centrosymmetric title compound, [Zn(4)(C(9)H(6)NO)(6)(C(2)H(3)O(2))(2)]·2H(2)O, the Zn(II) atom that is bonded to one O atom of the acetate group is chelated by a quinolin-8-olate anion. This Zn atom is also bonded to the oxide O atoms of two other quinolin-8-olate anions, which themselves engage in chelation to the other Zn(II) atoms. The Zn(II) atom is five-coordinate in a square-pyramidal coordination geometry.

Tris(diisopropyl-ammonium) hydrogensulfate sulfate.

The cations and anions of the title salt, 3C(6)H(16)N(+)·HSO(4) (-)·SO(4) (2-), are linked by N-H⋯O and O-H⋯O hydrogen bonds into a three-dimensional network. The hydrogensulfate ion, with a single S-O(H) bond of 1.563 (2) Å, forms a short O-H⋯O hydrogen bond [O⋯O = 2.