Miracle-dz/UniFAR-FTUs huggingface dataset:
SYNTHESIS, CHARACTERIZATION AND IN VITRO MICROBIAL EVALUATION OF REGIOISOMERS OF ALLYL PHENYL ETHERS DERIVED 1, 2, 4-TRIAZOLES

Objective: Synthesis and antimicrobial evaluation of regioisomers of allyl phenyl ethers derived 1, 2, 4-triazoles. Methods : A series of new 1,2,4-triazole derivatives of allyl phenyl ethers were synthesized by reacting a mixture of regio isomers 1-(3-bromo-2-methoxypropoxy)-arene and 1-(2-bromo-3-methoxypropoxy)-arene with 1,2,4-triazole in presence of K 2 CO 3 and DMF at 80 o C in good yields. Allyl phenyl ethers 1(a-f) were synthesized by refluxing the substituted phenols with allyl bromide in the presence of K 2 CO 3 and acetone in excellent yields. The newly synthesized compounds were characterized by IR, 1 HNMR, Mass spectral studies and elemental analysis. These compounds were also screened for their In-vitro antibacterial and antifungal activities. Results: Allyl phenyl ethers derived 1,2,4-triazol derivatives were synthesized in good yields. Conclusion: Preliminary results revealed that some of the synthesized compounds were showed promising antibacterial and antifungal activity. Keywords: 1, 2, 4-triazole, Antibacterial activity and Antifungal activity.
Crystal engineering : the design of organic solids

1. Molecular Crystals and Crystal Engineering. Crystal engineering. Why design crystal structures of organic molecules? Some extensions. Conclusions. 2. The Atom-Atom Potential Method and the Close-Packing Model for Molecular Crystals. Intermolecular forces in crystals. The atom-atom potential method. The close-packing model of Kitaigorodskii. Crystal structure prediction. Conclusions. 3. Crystallographic Databases and the Recognition of Intermolecular Patterns. The nature and growth of crystallographic information. The Cambridge structural database. Intermolecular patterns in crystals. Conclusions. 4. Structures Based Mostly on van der Waals Forces. Non-bonded interactions involving carbon and hydrogen atoms. Effects of van der Waals forces on crystal packing. Occupied and unoccupied volumes in crystals. Conclusions. 5. Some Structures Based on Hydrogen Bonding. Introduction. Rationalisation of hydrogen bonding patterns. The role of C-H.O interactions in determining crystal structures. Other types of hydrogen bonding in crystals. Conclusions. 6. Structures Based on Intermolecular Contacts to Halogen Atoms. The nature of halogen.halogen forces. The geometry of halogen.halogen interactions. Design of halogen.halogen stabilised crystal structures. Contacts between halogen and non-halogen atoms. Conclusions. 7. Structures Based on Intermolecular Contacts to Sulphur. The nature of sulphur.heteroatom contacts. Crystal design and engineering. Conclusion. 8. Designing Non-Centrosymmetric Crystals. Introduction. Some properties and applications of non-centrosymmetric crystals. Methods of crystal design. Non-centrosymmetry in other organised media. Conclusions. 9. Structures Based on Interactions Between Distinct Molecular Species: Solid Solutions, Donor-Acceptor Complexes and Clathrates. Design of crystal structures of molecular complexes. 10. Polymorphism - The Nemesis of Crystal Design? Polymorphism and crystal structure design. 11. Conclusions. Index.
An Optical/Infrared Outburst in the Exciting Source of HH 7–11

We report on an outburst of SVS 13, the exciting source of the HH 7–11 outflow, in the optical and near-infrared wavelength region (see also Eisloffel et al., 1991). CCD images from our archives and recently obtained ones show that the brightness of this source at 6740 A increased by around 2.5 magnitudes sometime between December 1988 and September 1990 (Fig. la). Since then until July 1991, our last measurement so far, the source has been constantly brightening by 0.06 mag per month. A similar outburst was observed in the V, R and I bands. Photometry at K (Fig. lb) shows that the IR flux of SVS 13 apparently was slightly variable (up to 0.5 mag) already during the decade before the outburst. During the outburst it also increased, albeit the amplitude is only ΔK ~ 1.2 mag, i.e. much smaller than in the optical (see also Liseau et al., 1992, who noted the brightness increase in the infrared too).
Subchronic Neurotoxicity of Oil Formulations Containing Either Tricresyl Phosphate or Tri-Orthocresyl Phosphate

This study was conducted to determine the threshold concentration of tricresyl phosphate (TCP) in aviation engine oil able to cause delayed peripheral neuropathy in adult hens after repeated exposure. The study also evaluated the predictive value of endpoints usually used to measure acute peripheral neurotoxicity (neurotoxic esterase [NTE] inhibition, ataxia, and histopathologic changes), as measures of neurotoxicity in a subchronic study. Animals that received oil containing 3% TCP showed significant neurotoxicity that could not be accounted for by the small amount of TOCP present. Oil containing 1% TCP was without neurotoxic activity. There was an excellent correlation between percentage inhibition of NTE and development of neuropathy. An association was also seen for ataxia and neuropathology. Further study is needed to determine the phosphate ester isomers responsible for the significant neurotoxic potency demonstrated by the aviation engine oil containing 3% TCP.
Prenatal nicotine exposure induces cardiac adrenergic subsensitivity in adult rats.

Adult offsprings of Wistar female rats treated during pregnancy (days 1-20) with nicotine (1 mg/kg s.c.,b.i.d.), were tested in order to detect possible alterations in the reactivity of the cardiovascular system to sympathetic agonists. Dose-response curves to the pressor response of noradrenaline (NA) did not show any differences between control and experimental animals. However, cumulative dose-response curves to the chronotropic effect of NA on isolated atria were significantly shifted to the right in nicotine prenatal treated rats than in controls. Accordingly, 3H-dihydroalprenolol binding was significantly reduced in hearts of experimental animals as compared with controls, without any change in affinity. These data demonstrate long lasting deleterious effects induced by prenatal nicotine exposure, probably resulting from alterations in the sympathetic system during the developing stage.
Water chemistry in Sarobetsu Mire and their relations to vegetation composition

Abstract The changes in water chemistry regime and their effect on the composition of the vegetation were studied in Sarobetsu Mire, northern Hokkaido, Japan, an exotic plant-invaded bog. Water chemistry and plant species data were collected along the invasion stage which depicts the degradation gradient. Analysis of Variance (ANOVA) was conducted to assess the source of the variances in water chemistry and Canonical Correspondence Analysis (CCA) was then used to relate vegetation gradients to environmental factors. The water chemistry regimes between the natural and degraded area were found to be significantly different. They were found to change gradually from ombrotrophic to minerotrophic state along the invasion pattern. Sampling points (i.e. locations along the degradation gradient) accounted for most of the variation in water chemistry. It accounted for 30 – 80% of the total variation in pH, EC, NH4 +, DN, Na+, K+, Ca2+, Mg2+, alkalinity 4.3Bx, Si and Dissolved Organic Carbon. CCA ordination also revealed that besides hydrological parameters, nutrient contents, acidity-alkalinity gradient and base cation content (excluding K+) were also closely related to the composition of the vegetation. The results highlight the influence of hydrological parameters on water chemistry regime; they control the chemical as well as biotic processes in mire ecosystems.
QUASI-SOLID-STATE DYE-SENSITIZED SOLAR CELLS BASED ON ZnO PHOTOANODE

ZnO photoanode in dye-sensitized solar cells (DSSCs) has been successfully prepared by the electro-hydrodynamic (EHD) technique. The sandwich solar cells exhibited a short-circuit photocurrent density of 7.0 mA cm−2 and conversion efficiency of 1.65% with a quasi-solid-state electrolyte under simulated sun illumination (AM-1.5, 100 mW cm−2). The stability and the influencing factors, such as film thickness and light intensity, on solar cell performance were discussed.
Semeadura em fileira dupla e espaçamento reduzido na cultura da soja.

Ajustes no arranjo espacial das plantas de soja podem refletir em aumentos significativos na produtividade de graos, sem alteracoes na sustentabilidade dos sistemas de producao. Objetivou-se com o presente trabalho avaliar o desempenho da cultivar de soja BRS 294 RR cultivada em fileira dupla e espacamento reduzido, em diferentes densidades de semeadura. O experimento foi realizado a campo, em Londrina, PR, durante o periodo de novembro de 2011 a marco de 2012. Utilizou-se o delineamento de blocos completos ao acaso, em esquema fatorial 5x2, com tres repeticoes. Os tratamentos foram formados pela combinacao de cinco espacamentos entre fileiras (19 cm; 38 cm; 57 cm; fileira dupla de 19/38 cm; e fileira dupla de 19/57 cm) e de duas densidades de semeadura (375.000 e 562.500 sementes ha-1). O espacamento de 19 cm reduziu a produtividade de graos de soja. A semeadura em fileira dupla proporcionou produtividade de graos similar aos espacamentos tradicionais utilizados na cultura da soja. O aumento na densidade de plantas nao resultou em incrementos na produtividade de graos de soja em todos os espacamentos avaliados, demonstrando a alta plasticidade fenotipica da cultivar avaliada.
Combinatorial Investigation and Modelling of MoO3 Hole‐Selective Contact in TiO2|Co3O4|MoO3 All‐Oxide Solar Cells

A TiO2|Co3O4|MoO3 all‐oxide solar cell produced by spray pyrolysis and pulsed laser deposition (PLD) onto a fluorine‐doped tin‐oxide (FTO) glass substrate with gold (Au) back contacts is demonstrated for the first time. A combinatorial approach is implemented to study the effect of molybdenum oxide (MoO3) as a recombination contact and the influence of the cobalt oxide (Co3O4) light‐absorber thickness on the performance of the solar cells. An increase of more than 200 mV in the open circuit voltage (Voc) is observed with a concurrent enhancement in terms of short‐circuit current (Jsc) and maximum power in comparison with TiO2|Co3O4 devices without the MoO3 layer. To understand the mechanism, full drift diffusion simulations are performed. The higher performance is attributed to elimination of a recombination process at the absorber/metal back‐contact interface and surface passivation by the MoO3 layer.
A methane flux transect along the trans-Alaska pipeline haul road

Methane flux measurements were made during the summer of 1987 at 10 km intervals along a north–south transect from Prudhoe Bay (70°13′N) to the Arctic Circle (66°30′N) in Alaska. A regional comparison showed that the mean CH 4 flux from arctic tundra (52 mg m -2 d -1 ) was significantly greater than the mean from high latitude taiga (11 mg m -2 d -1 ). Sites occupied on the transect were classified into 6 categories based on differences in plant communities and CH 4 emission was further compared. Mean CH 4 fluxes (mg m -2 d -1 ) for each category were: wet tundra, 90; low brush-muskeg bog, 45; moist tundra, 31; freshwater ponds, 21; spruce forest, 4.6; and alpine tundra, 0.6. Differences among means were statistically significant. During the period of observation, CH 4 emission was only weakly correlated with soil temperature, water table depth, thaw depth and organic layer depth. Extending these fluxes to appropriate areas and emission periods yields independent estimates of annual CH 4 emission from global tundra and taiga environments of 38 Tg and 15 Tg. This is about 46% of the wetland emission term or 10% of the global atmospheric input. DOI: 10.1034/j.1600-0889.1990. t01-2-00002.x
Black Phosphorus–Polymer Composites for Pulsed Lasers

Black phosphorus (BP) is a very promising material for telecommunication due to its direct bandgap and strong resonant absorption in near‐infrared wavelength range. However, ultrafast nonlinear photonic applications relying on the ultrafast photocarrier dynamics as well as optical nonlinearity in black phosphorus remain unexplored. In this work, nonlinear optical properties of solution exfoliated BP are investigated and the usage of BP as a new saturable absorber for high energy pulse generation in fiber laser is demonstrated. In order to avoid the oxidization and degradation, BP is encapsulated by polymer matrix which is optically transparent in the spectrum range of interest to form a composite. Two fabrication approaches are demonstrated to produce BP‐polymer composite films which are further incorporated into fiber laser cavity as nonlinear media. BP shows very fast carrier dynamics and BP‐polymer composite has a modulation depth of 10.6%. A highly stable Q‐switched pulse generation is achieved and the single pulse energy of 194 nJ is demonstrated. The ease of handling of such black phosphorus‐polymer composite thin films affords new opportunities for wider applications such as optical sensing, signal processing, and light modulation.
The effect of barium hydroxide on the physicochemical properties of lime-based conservation mortars

The research undertaken concerns the analysis of original Byzantine mortars and the study of new compatible lime-based mixtures, for conservation purposes, which present enhanced resistance to sulphates. The thesis focuses on the effect of barium hydroxide, as an additive, to both the physicochemical properties and the durability of conservation mortars. Both binary pastes and mortar mixtures, containing varying amounts of barium hydroxide, were prepared and their physicochemical properties and durability determined. Comparisons were made with a reference mixture containing no barium hydroxide. The laboratory mixtures were synthesised according to the analysis of original mortars, collected from six different Byzantine mosaic pavements. The durability of the mortar mixtures against sulphate action was studied through the use of accelerated aging tests: crystallisation of soluble salts; electrochemical degradation; sulphate fixation; and resistance to leaching of cementing material. The results of these tests were considered together with the physical properties of the mortars, since these also influence their durability. From the interpretation of the results it was shown that the setting of lime-based barium mixtures can be described by two mechanisms; the carbonation process of calcium hydroxide and barium hydroxide; and the precipitation of a barium calcium carbonate [BaCa(CO3)2] solid solution. It has been shown that the presence of barium hydroxide in lime-based mortars has a physical effect on the pore space characteristics of the mortar. It has also been shown that its presence improves the durability of the mortar, playing a protective role against sulphate attack.
Investigation of ignition dynamics in a H_2/air mixing layer with an embedded vortex

Numerical simulations are carried out to study the effect of a vortex on the ignition dynamics of hydrogen/ air in a quiescent mixing layer. The problem has direct implications on the auto-ignition behavior and stabilization mechanism in turbulent non-premixed flames, recirculating burners and supersonic combustion. Similar problems have been studied in the past using different approximations like infinitely fast and single-step chemistry and large activation energy asymptotics. While useful insight is obtained, the role of multi-step reaction chemistry is neglected. More recent work utilizing detailed chemical kinetics has been limited in its scope due to computational requirements. These difficulties are overcome in the present study by utilizing a tabulated approach. Chemistry tabulations are generated utilizing steady-state solutions of the non-premixed flamelet equations. The fluid dynamic simulations are carried out using a lookup table approach. Similar calculations are also performed with detailed chemistry to demonstrate the accuracy of the tabulated approach. The reduction in computational time obtained using the tabulated approach is utilized to conduct a parametric study investigating the effects of vortex strength, characteristic size, center location, and fuel/air temperatures on ignition delay time and location. The effect of these parameters are correlated to the scalar dissipation rate to explain the physical processes leading to ignition.
Matrixreaktionen von SiO. IR‐spektroskopischer Nachweis der Molekeln SiO2 und OSiCl2

Aus einer Knudsenzelle verdampftes SiO reagiert mit O-Atomen (Mikrowellenanregung) in einer Argonmatrix zu molekularem SiO2. Banden um 1400 cm−1 im IR-Argon-Matrixspektrum werden der asymmetrischen Valenzschwingung (ν3) der Isotopenmolekule Si16O2, Si16O18O und Si18O2 zugeordnet. In einer Argonmatrix reagiert SiO mit Cl2 nach Anregung mit einer Hg-Hochdrucklampe zu OSiCl2. Mit Hilfe von Isotopenverschiebungen (16O/18O, 28Si/29Si, 35Cl/37Cl) und Kraftkonstantenrechnungen lassen sich die gemessenen Frequenzen einer planaren Molekel OSiCl2 zuordnen. Lediglich die Deformationsschwingung δ (SiCl2) wurde nicht beobachtet. Die Valenzkraftkonstante f(SiO) betragt fur SiO2 und OSiCl2 etwa 9 . 102 N m−1. Dieser Wert entspricht nach der SIEBERT-Regel der Erwartung fur die Valenzkraftkonstante einer SiO-Doppelbingung. Matrix Reactions of SiO. IR-spectroscopic Identification of the Molecules SiO2 and OSiCl2 SiO evaporated from Knudsen cell reacts in argon matrix with atomic oxygen generated by microwave excitation to molecular SiO2. Bands at 1400 cm−1 in the IR matrix spectrum are assigned to the ν3-vibration of molecules Si16O2, Si16O18O, and Si18O2. In an argon matrix SiO can reach with Cl2 by excitation of a high pressure mercury lamp to OSiCl2. Isotopic splitting (16O/18O, 28Si/29Si, 35Cl/37Cl) and force constant calculations show that the observed frequencies can be assigned to a planar molecule OSiCl2. The bending mode δ (SiCl2) could not be observed. The force constant f(SiO) is 9. 102 N m−1 for SiO2 and OSiCl2. According to the SIEBERT rule this valence force constant is expected for a double bond between silicon and oxygen.
Adsorption of crystal violet dye onto tamarind seed powder.

The present investigation describes adsorption of crystal violet dye from its aqueous solution onto tamarind (Tamarindus indica) fruit shell powder. Initial concentration, agitation speed and pH with various temperature have been studied, in which pH was found to be most effective. The adsorption data were mathematically analyzed using adsorption isotherm like Freundlich and Langmuir isotherm to study adsorption mechanism of crystal violet onto this seed powder. Freundlich isotherm was found to be most applicable. The equilibrium data were applied to intra-particle diffusion and adsorption kinetics. The reaction was found to be pseudo second order.
Effect of Combined Physical Stresses on Cells: The Role of Water

The role of water in microorganism viability was assessed through the application of combined physical perturbations. The combination of different physical parameters could allow to balance the properties variations (especially water related) resulting from the increase of one parameter alone. Thus, it is possible to optimize the survival of cells in controlling these parameters. This was tested through two different examples. The first example shows that combination of osmotic level and temperature can allow optimizing yeast cell survival in following membrane fluidity variation. Moreover this analysis has allowed a better comprehension of cell inactivation during rehydration and especially the impact of intracellular vesiculation during dehydration. The second example deals with the effect of combination of high hydrostatic pressure, low temperature and water activity of the medium, on resistance Escherichia coli cells. These experiments show that synergetic effect of high pressure and low temperature was only observed at pressure lower than 300 MPa and high water content. Otherwise, low temperature as well as low water activity protects the microorganisms from inactivation even at extreme pressure level (P > 600 MPa). These two examples show the implication of water thermodynamical properties and their preservation on cell survival even after extreme treatment conditions. Preservations process would certainly benefit from extensions of this knowledge.
The Influence of Instructional Aids on Mathematics Achievement

Data from the Second International Mathematics Study were analyzed using dual scaling or correspondence analysis to identify dimensions on which 103 Ontario Grade 8 mathematics teachers varied in reported use of instructional aids. These dimensions were then related to teacher and student characteristics and student achievement in mathematics. Teachers reporting greater use of a variety of instructional aids in the teaching of geometry and of ratio, proportion, and percent also reported greater course coverage. Experienced teachers reported more use of instructional aids. Student achievement in geometry was related to teaching experience and occasional use of a variety of instructional aids. Student achievement in ratio, proportion, and percent was related to teaching experience but was associated with extensive rather than occasional use of aids. The effect of instructional aids did not remain after the influence of topic coverage was removed. The use of instructional aids in the teaching of measurement was unrelated to virtually all teacher and student characteristics as well as student achievement.
Mineralization of Phenol in Water by Catalytic Non-Thermal Plasma Reactor – An Eco-Friendly Approach for Wastewater Treatment

Degradation of phenol in water was examined in a non-thermal plasma reactor combined with CeO2, Fe2O3/CeO2, and ZrO2/CeO2 catalysts. Plasma reactor was operated in a dielectric barrier discharge configuration, whereas, catalysts were characterized by XRD, BET, and Raman spectroscopy. The effect of applied voltage, phenol concentration and catalyst addition was studied. Typical results indicated that the degradation efficiency increases with increasing voltage, whereas, the best energy yield was obtained at lower applied voltage. Total organic carbon analyzer confirmed the mineralization of phenol, which was further enhanced by the catalyst addition up to 47.3%. The intermediate compounds formed during the plasma decomposition were identified by gas chromatography mass spectrometry (GC-MS).