New Zn(II) complexes based on biologically active substituted acetic acid and nitrogen donor ligands: synthesis,crystal structure and biological applications

The complexes [Zn(phenylacetato)₂(2-aminopyridin)₂] (3), [Zn(phenylacetato)₂(1,10-phenanthroline)]·H₂O (4), and [Zn(phenylacetato)₂(2,9-dimethyl-1,10-phenanthroline)]·0.5 H₂O (5) were prepared and characterized by IR-, UV–Visible, ¹H and ¹³C NMR spectroscopy, and single crystal X-ray diffraction. BNPP hydrolysis of the complexes and their parent nitrogen ligands showed that the hydrolysis rate of bis-(4-nitrophenyl) phosphate (BNPP) was 1.7 × 10⁵ L mol^?1 s^?1 for 3, 3.1 × 10⁵ L mol^?1 s^?1 for 4 and 4.3 × 10⁴ L mol^?1 s^?1 for 5. Antibacterial activities show the effect of complexation on activity against Gram-positive (S. epidermidis, S. aureus, E. faecalis, M. luteus and B. subtilis) and Gram-negative (K. pneumonia, E. coli, P. mirabilis and P. aeruginosa) bacteria using the agar well diffusion method. Complex 4 showed good activity against G? bacteria except P. aeruginosa, and against G+ bacteria except E. ferabis. Complex 5 showed no activity against G? bacteria, low activity against M. luteus and B. subtilis bacteria and high activity against S. epidemidis and S. aureus. Complex 3 did not show any activity against G? or G+ bacteria.     

Tetrathiafulvalene based electroactive ligands and complexes: Synthesis,crystal structures and antifungal activity

The synthesis of two tetrathiafulvalene-appended pyridinehydrazone pyrimidine ligands, namely (Z)-4-(2-((5-([2,2′-bi(1,3-dithiolylidene)]-4-yl)pyridin-2-yl)methylene) hydrazinyl)-6-chloropyrimidine L1 and (Z)-4-(2-((6-([2,2′-bi(1,3-dithiolylidene)]-4-yl)pyridin-2-yl)methylene) hydrazinyl)-6-chloropyrimidine L2 is described. Ligand L1 was reacted with cobalt(II) to yield a cationic metal complex [Co(L1)₂] while ligand L2 was reacted with zinc(II) to afford a neutral metal complex [ZnL2Cl₂]. The crystal structure analysis of [Co(L1)₂] indicate that Co(II) ion is coordinated by six nitrogen atoms from two perpendicular ligands while in [ZnL2Cl₂], Zn(II) is coordinated by two chlorine atoms and three nitrogen atoms. The electrochemical behavior indicate that ligands L1 and L2 and the zinc(II) complex are suitable fort the preparation of crystalline radical cation salts. Finally the determination of MIC₈₀ values against C. albicans, C. glabrata, C. parapsilosis, C. krusei and E. dermatitidis revealed that the cobalt(II) metal complex [Co(L1)₂] is active against all the studied fungi.     

Composition of essential oils in subterranean organs of three species of Valeriana L

Essential oils from the subterranean organs of three species of Valeriana L. from Iran (Valeriana sisymbriifolia Vahl, Valeriana alliariifolia Adams and Valeriana officinalis L.) belonging to Valerianaceae family have been obtained by hydrodistillation and analysed by gas chromatography-mass spectrometry in order to discern the differences and similarities between the volatile chemical compositions of these species. More than 100 components were identified in essential oils of the studied plants (Supplementary Table S1--online only). The principal common constituents of the three species of Valeriana were spathulenol, limonene, γ-terpinene, vulgarone B and p-cymene. The main essential oil ingredients were α-selinene (7.83%) in V. sisymbriifolia, limonene (3.53%) in V. alliariifolia and spathulenol (13.33%), α-campholenal (11.48%), vulgarone B (8.38%) and valerenal (8.32%) in V. officinalis plants. Ageratochromene (precocene II), a chromene substance with antibacterial, antifungal, insecticidal and antijuvenile hormonal activities, was found at high levels (35.59% and 36.58%) in the essential oils of V. sisymbriifolia plants.     

A comprehensive Monte Carlo simulation of styrene atom transfer radical polymerization

<正>An optimized and high-performance Monte Carlo simulation is developed to take thorough account of four different cases of termination in styrene ATRP.According to the simulation results,the bimolecular termination rate constant sharply drops throughout the polymerization when either chain-length dependency of termination rate constant,gel effect,or both together is applied to the simulation.In addition,as expected,the initiator is quickly decomposed at the early stages of the polymerization.The concentration of the catalyst in lower oxidation state decreases at first and then plateaus at higher conversion;furthermore,the steady concentration of M_t~nY/L in the polymerization is the highest when the chain-length-dependent diffusion-controlled termination rate constant is employed in the simulation.The rates of deactivation and chain end degradation reactions are also smaller in this case.Therefore,the fraction of dormant chains is higher throughout the reaction and consequently the portion of dead polymers decreases.Besides,molecular weight increases linearly with conversion;however,when neither gel effect nor chain-length dependency of termination rate constant is considered,the molecular weight deviates from linearity at the end of the reaction.The peak of chain length distribution shifts toward higher molecular weight too during the reaction.Finally,the molecular weight distribution broadens at higher conversion;however, the chain length distribution of polymers produced under conditions of applying chain-length-dependent diffusion-controlled termination rate constant is narrower.     

甲烷氧化偶联锂/氧化镁催化剂和纳米催化剂

采用初湿浸渍和溶胶凝胶法分别制备了Li/MgO催化剂和Li/MgO纳米催化剂. 比较两种Li/MgO催化剂对于甲烷氧化偶联反应的催化性能. 采用X射线衍射、BET吸附和透射电镜进行了表征.在973-1073 K和总压力为101 kPa下对催化剂进行了测试. 实验结果表明,Li/MgO纳米催化剂比普通催化剂对于甲烷氧化偶联反应表现为更高的甲烷转换率,较高选择性和较高的的主要产品(乙烷和乙烯)的产率.     

Efficient visible-light-induced photocatalytic degradation of MO on the Cr-nanocrystalline titania-S

In order to improve visible light photocatalytic activities of the nanometer TiO₂, a novel and efficient Cr,S-codoped TiO₂ (Cr-TiO₂-S) photocatalyst was prepared by precipitation-doping method. The crystalline structure, morphology, particle size, and chemical structure of Cr-TiO₂-S were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), scanning electron microscopy (SEM), and Fourier transform infrared (FT-IR) techniques, respectively. Results indicate that the doping of Cr and S, cause absorption edge shifts to the visible light region (λ > 420 nm) compare to the pure TiO₂, reduces average size of the TiO₂ crystallites, enhances desired lattice distortion of Ti, promotes separation of photo-induced electron and hole pair, and thus improves pollutant decomposition under visible light irradiation. The photocatalytic activities of Cr-TiO₂-S nanoparticles were evaluated using the photodegradation of methyl orange (MO) as probe reaction under the irradiation of UV and visible light and it was observed that the Cr-TiO₂-S photocatalyst shows higher visible photocatalytic activity than the pure TiO₂. The optimal Cr-TiO₂-S concentration to obtain the highest photocatalytic activity was 5 mol% for both of Cr and S.     

Comment on “Delayed luminescence of biological systems in terms of coherent states” [Phys. Lett. A 293 (2002) 93]

Popp and Yan [F.A. Popp, Y. Yan, Phys. Lett. A 293 (2002) 93] proposed a model for delayed luminescence based on a single time-dependent coherent state. We show that the general solution of their model corresponds to a luminescence that is a linear function of time. Therefore, their model is not compatible with experimental delayed luminescence. Moreover, the functions that they use to describe the oscillatory behaviour of delayed luminescence are not solutions of the coupling equations to be solved.     

Varieties of Pragmatic Encroachment

According to a recent view, known as the 'pragmatic encroachment' thesis, an agent’s non-truth-related factors are relevant to the epistemic status of her beliefs. In particular, in addition to truth-related factors, practical factors are said to be relevant to the question whether or not true belief amounts to knowledge. Despite the intuitive appeal of the thesis, however, it is puzzling how practical factors can impact the truth-related factors that ground the epistemic status of one's beliefs. In this paper, I will distinguish between a strong and a weak sense of the way in which practical factors are said to be thus relevant. Their differences are explicated in terms of the nature and the extent to which practical factors are said to impact the epistemic status of one's beliefs. I begin by considering a strong version of the thesis that suggests principles according to which the practical rationality of one's actions is a necessary condition on knowledge and justification. Having noted an inadequacy in the formulation of such principles, the arguments in their support are subsequently stated and criticized. Finally, I identify two modest versions of the thesis of pragmatic encroachment and argue that they, too, fail to explain how practical factors can bear on the epistemic status of one's beliefs.     

Lattice Boltzmann simulation of non-Newtonian flows past confined cylinders

A second-order lattice Boltzmann algorithm is used for Power-Law non-Newtonian flow simulation. The shear dependent behavior of the fluid is implemented through calculating the shear locally from the lattice distribution functions. A step by step verification procedure is taken to ensure the accuracy and the physical correctness of the numerical simulation. The flow past a series of tandem arrangement of two cylinders is computed in a confined domain. The effects of Reynolds number, the Power-Law index, and the distance between two cylinders on both the flow field and the drag coefficients of the cylinders are examined in detail.