The Adsorption of Herbicides and Pesticides on Clay Minerals and Soils. Part 2. Atrazine

The adsorption of atrazine and two model compounds,2-chloropyrimidine and 3-chloropyridine on clay minerals(bentonite, montmorillonite and kaolinite), organic matter (humic acid) and soil (with and without organic matter) has beenstudied using FT-infrared spectroscopy (IR), thermogravimetric analysis (TGA), high pressureliquid chromatography (HPLC) and X-ray diffraction (XRD).3-Chloropyridine, 2-chloropyrimidine and atrazine were adsorbedthrough hydrogen bonding on bentonite, montmorillonite, humic acid and soil. In addition tohydrogen bonding, protonation of 3-chloropyridine and atrazine was also observed.In the adsorption of 2-chloropyrimidine on bentonite and montmorillonitean ion exchange mechanism also occurred. No adsorption of 3-chloropyridine or 2-chloropyrimidine wasobserved on the kaolinite clay mineral.Both the clay minerals and organic matter of soil contribute tothe adsorption of organic compounds on soil but the clay minerals bentonite and montmorilloniteplay a major role in their adsorption on soil.     

Chemical synthesis of zinc oxide nanorods for enhanced hydrogen gas sensing

Zinc oxide(ZnO) nanorods are prepared using equimolar solution of zinc nitrate((Zn(NO3)2) and hexamethylenetetramine(C6H12N4) by the hydrothermal technique at 80 C for 12 h. Epitaxial growth is explored by X-ray diffraction(XRD) patterns, revealing that the ZnO nanorods have a hexagonal(wurtzite) structure. Absorption spectra of ZnO are measured by UV–visible spectrometer. The surface morphology is investigated by field emission scanning electron microscopy(FESEM). The synthesized ZnO nanorods are used for detecting the 150 C hydrogen gas with a concentration over 1000 ppm. The obtained results show a reversible response. The influence of operating temperature on hydrogen gas detecting characteristic of ZnO nanorods is also investigated.     

Growth by molecular beam epitaxy and electrical characterization of GaAs nanowires

We report on structural and electrical properties of GaAs nanowires (NWs) grown by molecular beam epitaxy (MBE) on GaAs and SiO₂ substrates using Au as growth catalyst. Au–Ga particles are observed on the top of the NWs by transmission electron microscopy (TEM). In most of the observed cases, individual particles contain two Au–Ga compositions, in particular orthorhombic AuGa and β′ hexagonal Au₇Ga₂. The wires grown on GaAs are regularly shaped and tidily oriented on both (1 0 0) and (1 1 1)B substrates. TEM also reveals that the NWs have a wurtzite lattice structure. Electrical transport measurements indicate that nominally undoped NWs are weakly n-type while both Be- and Si-doped wires show p-type behaviour. The effect of the lattice structure on impurity incorporation is briefly discussed.     

Probing the stereoselectivity of P-glycoprotein-synthesis, biological activity and ligand docking studies of a set of enantiopure benzopyrano[3,4-b][1,4]oxazines

A series of enantiomerically pure benzopyrano[3,4-b][1,4]oxazines have been synthesised and tested for their ability to inhibit P-glycoprotein. Reducing the conformational flexibility of the molecules leads to remarkable differences in the activity of diastereoisomers. Docking studies into a homology model of human P-gp provide first insights into potential binding areas for these compounds.     

Seimatoric acid and colletonoic acid:Two new compounds from the endophytic fungi,Seimatosporium sp.and Colletotrichum sp.

A new metabolite,named seimatoric acid(1),representing a new oxobutanoic acid derivative has been isolated from Seimatosporium sp., in addition to four known compounds viz.,2-hydroxymethyl-4β,5α,6β-trihydroxycyclohex-2-enone(2),(-)-phyllostine(3),(+)-epiepoxydon(4) and(+)-epoxydon monoacetate(5).Similarly one new benzoic acid derivative,named colletonoic acid(6) was isolated from the ethyl acetate fraction of Colletotrichum sp.The structures of the new compounds were elucidated by detailed ~1 H NMR,~(13)C NMR,COSY,HMQC.HMBC spectroscopic analysis,and HR-E1-MS.Seimatoric acid(1)was also isolated from another taxonomical unidentified fungal strain 4295 in ourgroup.The structures of the known compounds were elucidated by their spectral data comparison to literature data.Preliminary studies showed that colletonoic acid(6) showed good antibacterial,antifungal,and antialgal activities.     

Sensitized Photooxidation of Ortho-Prenyl Phenol: Biomimetic Dihydrobenzofuran Synthesis and Total 1O2 Quenching†

The sensitized photooxidation of ortho-prenyl phenol is described with evidence that solvent aproticity favors the formation of a dihydrobenzofuran [2-(prop-1-en-2-yl)-2,3-dihydrobenzofuran], a moiety commonly found in natural products. Benzene solvent increased the total quenching rate constant (k_T) of singlet oxygen with prenyl phenol by ~10-fold compared to methanol. A mechanism is proposed with preferential addition of singlet oxygen to prenyl site due to hydrogen bonding with the phenol OH group, which causes a divergence away from the singlet oxygen ‘ene’ reaction toward the dihydrobenzofuran as the major product. The reaction is a mixed photooxidized system since an epoxide arises by a type I sensitized photooxidation.     

Effect of arsenic species on the kinetics of GaAs nanowires growth by molecular beam epitaxy

GaAs nanowires (NWs) are grown on GaAs (1 1 1) B substrates in a molecular beam epitaxy system, by Au-assisted vapor–liquid–solid growth. We compare the characteristics of NWs elaborated with As₂ or As₄ molecules. In a wide range of growth temperatures, As₄ leads to growth rates twice faster than As₂. The shape of the NWs also depends on the arsenic species: with As₄, regular rods can be obtained, while pencil-like shape results from growth with As₂. From the analysis of the incoming fluxes, which contributes to the NWs formation, we conclude that the diffusion length of Ga adatoms along the NW sidewalls is smaller under As₂ flux as compared to that under As₄ flux. It follows that As₂ flux is favourable to the formation of radial heterostructures, whereas As₄ flux is preferable to maintain pure axial growth.     

Mononuclear Tricoordinate Copper(I) and Silver(I) Halide Complexes of a Sterically Bulky Thiourea Ligand and a Computational Insight of Their Interaction with Human Insulin

Reaction of two equivalents of the bulky 1,3-bis(2,6-diethylphenyl)thiourea ligand (L) with MX (being M = Cu⁺, Ag+; and X = Cl⁻, Br⁻, I⁻) in acetonitrile afforded neutral complexes of the type [MXL₂] [CuClL₂].2CH₃CN (1a); [CuBrL₂].2CH₃CN (1b); [CuIL₂] (1c): [AgClL₂] (2a); [AgBrL₂] (2b) and [AgIL₂] (2c). The two aromatic groups in free ligand were found to be trans with respect to the thiourea unit, which was a reason to link the ligand molecules via intermolecular hydrogen bonding. Intramolecular hydrogen bonding was observed in all metal complexes. The copper complexes 1a and 1b are acetonitrile solvated and show not only intra- but also intermolecular hydrogen bonding between the coordinated thiourea and the solvated acetonitrile molecules. Silver complexes reported here are the first examples of structurally characterized tricoordinated thiourea-stabilized monomeric silver(I) halides. Molecular docking studies were carried out to analyze the binding modes of the metal complexes inside the active site of the human insulin (HI) protein. Analysis of the docked conformations revealed that the electrostatic and aromatic interactions of the protein N-terminal residues (i.e., Phe and His) may assist in anchoring and stabilizing the metal complexes inside the active site. According to the results of docking studies, the silver complexes exhibited the strongest inhibitory capability against the HI protein, which possesses a deactivating group, directly bonded to silver. All compounds were fully characterized by elemental analysis, NMR spectroscopy, and molecular structures of the ligand, and five out of six metal complexes were also confirmed by single-crystal X-ray diffraction.     

3D highly porous microspherical morphology of NiO nanoparticles for supercapacitor application

Journal of Solid State Electrochemistry - In the present work, the effect of reaction temperature and urea concentration on the electrochemical performance of NiO nanoparticles is investigated. The...