Design and Synthesis of a Series of Piperazine‐1‐carboxamidine Derivatives with Antifungal Activity Resulting from Accumulation of Endogenous Reactive Oxygen Species

In this study, we screened a library of 500 compounds for fungicidal activity via induction of endogenous reactive oxygen species (ROS) accumulation. Structure–activity relationship studies showed that piperazine‐1‐carboxamidine analogues with large atoms or large side chains substituted on the phenyl group at the R³ and R⁵ positions are characterized by a high ROS accumulation capacity in Candida albicans and a high fungicidal activity. Moreover, we could link the fungicidal mode of action of the piperazine‐1‐carboxamidine derivatives to the accumulation of endogenous ROS.     

通过主动性设备维护策略提高工厂生产效率

当前的经济形势迫使工程师们重新考虑生产流程、发展新技术。现在在制造业工厂优化生产方式,避免意外停机比以往任何时候都重要。因此需要一种正确的维护模式来获取生产设备的最佳产出。     

Rheological properties of polypropylene/hemp fiber composites

This study investigates the effect of hemp fibres on the shear and elongational rheology of polypropylene (PP). The parameters studied were hemp content (0‐30%) and maleic anhydride polypropylene (MAPP) addition (0‐0.6%). Shear rheology revealed that fibre content mainly influences low shear rate properties like yield stress and zero‐shear‐viscosity while coupling agent addition mainly influences intermediate to high shear rate parameters like relaxation time, power‐law index and Yasuda parameter. On the other hand, elongational rheology results showed a strain softening behaviour of the composites with increasing consistency and decreasing strain at break as fibre concentration increases. MAPP addition is also shown to improve the fibre‐polymer compatibility, but at the same time produces a plasticizing effect having a significant effect on rheological properties. POLYM. COMPOS., 2009. © 2009 Society of Plastics Engineers     

Gallium arsenide surface chemistry and surface damage in a chlorine high density plasma etch process

In an effort to monitor ion-driven surface chemistry in the high density plasma etching of GaAs by Cl₂/Ar plasma chemistries, we have applied mass spectrometry and careful substrate temperature control. Etch product chlorides were mass analyzed while the substrate temperature was monitored by optical bandgap thermometry and as pressure (neutral flux), microwave power (ion flux) and rf bias of the substrate (ion energy) were varied. By ensuring that the substrate temperature does not deviate during process variations, the changes in product mass peak intensities are a direct measure of changes in the ionassisted surface chemistry which promotes anisotropic etching. Experimental results show that ion-assisted surface chemistry is optimum when sufficient Cl and Cl⁺ are present in the incident plasma flux. These conditions are met at low coupled microwave powers (<300 W) and low total process pressures (<1.0 mTorr) for input gas mixtures of 25% Cl₂ in Ar. Three mechanistic regions are identified for surface chemistry as a function of incident ion energy: 1) largely thermal chemistry for <50 eV; 2) ion-assisted chemistry for 50–200 eV; and 3) sputtering for >200 eV. Photoreflectance measurements of the surface Fermi level show significant damage for ion energies >75 eV. However, in situ and ex situ surface passivations can recover the surface Fermi level for up to 200 eV ion energies, in good correlation to the onset of sputtering and subsurface damage. Thus, anisotropic, low damage pattern transfer is possible for ion energies between 50 and 200 eV.     

Uses of digital computers in theoretical analytical chemistry II. Simulation of the passage of a compound through a countercurrent distribution apparatus

The progress of a compound through a countercurrent distribution apparatus has been followed theoretically by use of a digital computer. The computer avoids the usual assumption that all the tubes in the apparatus are alike. Instead, it deals with individual volumes and cutoff levels and allows time variation of solvent input rate. This gives a more realistic theoretical model and also makes it possible to test the properties of new designs of equipment before construction. E. Utiliz. Res. Dev. Div., ARS, USDA.     

Dielectric properties of some long-chain esters in the solid state

The dielectric properties of a series of long-chain alkyl esters were investigated over a wide temperature range (+25C to −35C) and frequency range (0.05kc to 100kc). The series included esters of all combinations of tetradecanol, hexadecanol, and octadecanol alcohols with tetradecanoic, hexadecanoic, and octadecanoic acids. The thermodynamic parameters were calculated and related to chain length, position of ester group in the chain, and crystal structure. Presented at the AOCS Meeting, Houston, April 1965. E. Utiliz. Res. Dev. Div., ARS, USDA.     

Physically Based Deformable Models in Computer Graphics

Physically based deformable models have been widely embraced by the Computer Graphics community. Many problems outlined in a previous survey by Gibson and Mirtich have been addressed, thereby making these models interesting and useful for both offline and real‐time applications, such as motion pictures and video games. In this paper, we present the most significant contributions of the past decade, which produce such impressive and perceivably realistic animations and simulations: finite element/difference/volume methods, mass‐spring systems, mesh‐free methods, coupled particle systems and reduced deformable models‐based on modal analysis. For completeness, we also make a connection to the simulation of other continua, such as fluids, gases and melting objects. Since time integration is inherent to all simulated phenomena, the general notion of time discretization is treated separately, while specifics are left to the respective models. Finally, we discuss areas of application, such as elastoplastic deformation and fracture, cloth and hair animation, virtual surgery simulation, interactive entertainment and fluid/smoke animation, and also suggest areas for future research.     

Assessment of human exposure to polybrominated diphenyl ethers in China via fish consumption and inhalation

This study examined human exposure to polybrominated diphenyl ethers (PBDEs) associated with fish consumption and inhalation in China. The median intake of sigma7 PBDEs via human milk was 48.2 ng/day for nursing infants (0-1 years old) (a range of 23.4-99.1 ng/day). For all other age groups, the median intake of sigma11 PBDEs via fish consumption was 1.7-12.9 ng/day with a range of 0.59-56.3 ng/g. Additionally, human exposure to PBDEs via inhalation was 2.7-9.2 ng/day (a range of 0.72-108 ng/day). The median total sigma11 PBDEs intakes for nursing infants (6874 and 7372 pg/ kg b.w./day for males and females, respectively) were much higher than other age groups (215-608 pg/kg b.w./ day). No significant difference in the total PBDEs intakes was found between males and females. Of the 11 PBDEs congeners, BDE-47 was predominant in the total intake for nursing infants with a mean contribution of 38%, whereas BDE-209 was the dominant congener of total intake for other age groups, varying from 44 to 61%. Currently, the PBDEs levels in Chinese consumer fish and the total intakes of PBDEs via fish consumption were at the lower end of the global range. Compared with similar studies in other countries, however, human exposure to PBDEs via inhalation in China was relatively high. Overall, estimated daily intake of total PBDEs in the Chinese population was far below the LOAEL. However, studies are needed to further understand the fate and impact of PBDEs as PBDE-containing products are still used widely in large quantities in China.     

Differential effect of arecoline on the endogenous dioxin-responsive cytochrome P450 1A1 and on a stably transfected dioxin-responsive element-driven reporter in human hepatoma cells

Dioxin-responsive element-mediated chemical activated luciferase expression (DRE-CALUX) is one of alternative bioassays for the determination of dioxin levels. We have previously established a DRE-CALUX cell line, Huh7-DRE-Luc, by using stable transfection of Huh-7 cells with a reporter plasmid (4xDRE-TATA-Luc) carrying a DRE-driven firefly luciferase gene. It was also shown that arecoline, a major areca nut alkaloid, inhibited the 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD)-induced cytochrome P450 1A1 (CYP1A1) activation in Huh-7 cells. The TCDD-activated aryl hydrocarbon receptor (AhR) induces the DRE-CALUX activation and CYP1A1 gene expression via binding to DRE in promoter regions of these dioxin-responsive genes. In the present study, the effect of arecoline on the TCDD-induced activation of DRE-CALUX and CYP1A1 enzyme in Huh7-DRE-Luc and Huh-7 cells, respectively, was examined. It was found that arecoline inhibited TCDD-induced CYP1A1 activation and however enhanced TCDD-induced DRE-CALUX activation. This finding indicates the differential effect of arecoline on the endogenous dioxin-responsive CYP1A1 and on a stably transfected DRE-driven reporter in human hepatoma cells. The present study suggests that induction of DRE-CALUX alone does not necessarily parallel with endogenous CYP1A1 gene expression, and that the reporter assay may detect interactions that are not functional in endogenous gene.     

Aluminum‐Catalyzed Formation of Functional 1,3,2‐Dioxathiolane 2‐Oxides from Sulfur Dioxide: An Easy Entry towards N‐Substituted Aziridines

Aluminum(III) complexes derived from aminotriphenolate ligands are shown to be excellent catalysts for the formation of cyclic sulfites from a range of (functionalized) terminal and internal epoxides, and ex situ generated sulfur dioxide. The developed catalytic protocol is characterized by its operational simplicity, wide scope in epoxide reaction partners, good to excellent isolated yields and mild reaction conditions [50–70 °C, p(SO₂) <1 bar]. The synthetic potential of these cyclic sulfites in organic synthesis is demonstrated in the preparation of N‐substituted aziridines through a three‐step protocol.