Volatile constituents of two Hypericum species from Tunisia

The chemical composition of the essential oils obtained by hydrodistillation from the aerial parts of the Tunisian Hypericum perforatum and H. ericoides ssp. roberti was elucidated by a combination of GC and GC-MS analyses. The main constituents of the oil of H. perforatum were alpha-pinene (11.8%), alpha-ylangene (10.4%), germacrene-D (9.5%), n-octane (6.5%) and alpha-selinene (5.9%). The oil of H. ericoides ssp. roberti exhibited a higher amount of aliphatic and branched hydrocarbons and the main constituents were n-octane (29.1%), alpha-pinene (10.9%), pulegone (7.7%) and acetophenone (7%). Both qualitative and quantitative differences were observed between the studied oils. This chemical variability seems likely to result from the genetic variability, since samples of both species were collected at the same location and processed under the same conditions.     

Determination of nitrate with a flow-injection system combining square-wave polarographic detection with on-line deaeration

The combination of a flow-injection system with square-wave polarography and on-line deaeration is applied to the determination of nitrate, utilizing the catalytic reaction between nitrate and uranyl ion. The method is simple, rapid (60 samples h^?1), sensitive and accurate, with a detection limit of 2 μM nitrate. The method has been applied to the determination of nitrate in drinking and river waters.     

Portraits of some representatives of metal boride carbide and boride silicide compounds

Different ternary alkaline-earth and rare-earth metal boron carbide and silicide compounds are examined using the solid-state language of Zintl-Klemm concept, band structures, and density of states, in order to show that the topology of the non-metal sub-lattice is highly dependent on the electron count. It is also shown that the chemistry of rare-earth metal-boron-silicon does not parallel that of rare-earth metal-boron-carbon. B-C bonds are easily formed in the latter, leading to a large variety of different structural arrangements, whereas Si-B bonds are hardly observed in the former, except in insertion compounds.     

Uniqueness and existence of solutions for a singular system with nonlocal operator via perturbation method

In this work, we investigate the existence and the uniqueness of solutions for the nonlocal elliptic system involving a singular nonlinearity as follows: $$ \left\{\begin{array}{ll} (-\Delta_p)^su = a(x)|u|^{q-2}u +\frac{1-\alpha}{2-\alpha-\beta} c(x)|u|^{-\alpha}|v|^{1-\beta}, \quad \text{in }\Omega,\ (-\Delta_p)^s v= b(x)|v|^{q-2}v +\frac{1-\beta}{2-\alpha-\beta} c(x)|u|^{1-\alpha}|v|^{-\beta}, \quad \text{in }\Omega,\ u=v = 0 ,\;\;\mbox{ in }\,\mathbb{R}^N\setminus\Omega, \end{array} \right. $$ where $\Omega $ is a bounded domain in $\mathbb{R}^{n}$ with smooth boundary, $0<\alpha <1,$ $0<\beta <1,$ $2-\alpha -\beta 相似文献   

A Comprehensive Study of N-Butyl-1H-Benzimidazole

Imidazole derivatives have found wide application in organic and medicinal chemistry. In particular, benzimidazoles have proven biological activity as antiviral, antimicrobial, and antitumor agents. In this work, we experimentally and theoretically investigated N-Butyl-1H-benzimidazole. It has been shown that the presence of a butyl substituent in the N position does not significantly affect the conjugation and structural organization of benzimidazole. The optimized molecular parameters were performed by the DFT/B3LYP method with 6-311++G(d,p) basis set. This level of theory shows excellent concurrence with the experimental data. The non-covalent interactions that existed within our compound N-Butyl-1H-benzimidazole were also analyzed by the AIM, RDG, ELF, and LOL topological methods. The color shades of the ELF and LOL maps confirm the presence of bonding and non-bonding electrons in N-Butyl-1H-benzimidazole. From DFT calculations, various methods such as molecular electrostatic potential (MEP), Fukui functions, Mulliken atomic charges, and frontier molecular orbital (HOMO-LUMO) were characterized. Furthermore, UV-Vis absorption and natural bond orbital (NBO) analysis were calculated. It is shown that the experimental and theoretical spectra of N-Butyl-1H-benzimidazole have a peak at 248 nm; in addition, the experimental spectrum has a peak near 295 nm. The NBO method shows that the delocalization of the aσ-electron from σ (C1–C2) is distributed into antibonding σ* (C1–C6), σ* (C1–N26), and σ* (C6–H11), which leads to stabilization energies of 4.63, 0.86, and 2.42 KJ/mol, respectively. Spectroscopic investigations of N-Butyl-1H-benzimidazole were carried out experimentally and theoretically to find FTIR vibrational spectra.     

A conductometric biosensor for the estimation of the number of cleaving sites in peptides and proteins

A conductometric enzyme biosensor using proteinase K was developed and then tested to relate its electrical signal to the number of proteinase K hydrolysis sites in bovine serum albumin (BSA) and angiotensin, a ten amino acid peptide, with one cleaving site.The conductometric sensor presents a large linear range of response for BSA and angiotensin ranging from 0.5 to 8 mg/l and from 4 to 8 mg/l, respectively. For a same tested concentration (mg/l), the response for native BSA is 12 times higher than for angiotensin. Aspartam was used as negative test and no response was obtained with the proteinase K biosensor. The conductometric sensor permitted also to detect difference on enzyme activity on native and non-native BSA, a response three times higher was obtained for non-native BSA.     

Synthesis,characterization and optical properties of ZnO nanoparticles with controlled size and morphology

Zinc oxide monodispersed nanoparticles were synthesized using a modified polyol process without any requirement to use a catalyst or calcination step at high temperature. The morphology and the size of the resulting oxide particles were adjusted by using several synthesis parameters (temperature, alkaline ratio, hydrolysis ratio, etc.). The increasing of the alkaline ratio results in a great change of the elaborated particles morphology that evolved from irregular and anisotropic forms (conical, nanorod-like and elliptical) to spherical one. A growth mechanism of these particles was proposed on the basis of zincite crystal structure and the morphology evolution as a function of the synthesis parameters. The photoluminescence spectra show UV-excitonic and visible emission bands. The strongest intensity of the visible emission was observed in nanorod-like particles, which implies an increased fraction of oxygen vacancies in this sample. The rod-like particles with 1 μm length show the dominant UV-emission, which evidences their improved stoichiometry.     

A one-pot Biginelli synthesis of 3,4-dihydropyrimidin-2-(1H)-ones/thiones catalyzed by triphenylphosphine as Lewis base

We report herein the use of triphenylphosphine (TPP) as a new catalyst for the one-pot Biginelli reaction coupling of β-ketoesters, aldehydes and urea (or thiourea) to afford the corresponding dihydropyrimidinones/thiones.     

EPR study of persistent free radicals in cross-linked EPDM rubbers

Cross-linking of ethylene propylene diene monomer (EPDM) rubbers containing different amounts of dicyclopentadiene (DCPD), 5-ethylidene-2-norbornene (ENB) and 5-vinyl-2-norbornene (VNB) dienes was examined by EPR spectroscopy. The cross-linking was initiated by thermal decomposition of dicumyl peroxide at 440 K. The concentration of free radicals increased towards the end of the cross-linking process before reaching a maximum and decaying to zero. This is explained by the spatial confinement of the radicals in the cross-linked rubber, which leads to increased life time and, hence, higher radical concentration at a time when most peroxide has decomposed. The EPR spectra showed the presence of two components: a well-resolved spectrum overlapping a broad line. Both components are assigned to allyl radicals possessing different mobility. The more mobile component is assigned to allyl radicals along the EPDM chains, whereas the immobilised allyl radicals are formed in the cross-links. The stability of the allyl radicals decreases in the order DCPD > ENB > VNB. EPDMs containing two dienes show more persistent radicals than their single-diene counterparts. The most persistent radicals are observed for highly cross-linked (e.g., 28% ENB) or mixed diene EPDMs (e.g., 2.2% DCPD-4.4% ENB); the EPR spectra of free radicals in these systems can be observed for several hours.