Miracle-dz/UniFAR-FTUs huggingface dataset:
Activation of hydrocarbons and their catalytic oxidation by heterogeneous catalysis

The targets of this thesis were the selective oxidation of hydrocarbons under mild conditions, using cheap and environmentally friendly oxidants and initiators. Three projects are treated; the oxidation of an alkane using O2 and a co-oxidant, the oxidation of toluene using TBHP (tert-butyl hydroperoxide) and finally the oxidation of propane using hydrogen peroxide. C-H bond activation, O2 activation and high conversion with high selectivity were essential points to investigate. In the first project, alkane oxidation was studied in presence of a co-oxidant. The co-oxidant has for purpose to initiate the activation of the alkane and O2, as well as prevent the over-oxidation of the alkane. The co-oxidation of octane using benzaldehyde has been investigated using 1 wt. % AuPd/ C catalyst; the hypothesis is that benzaldehyde oxidation would use a radical mechanism able to activate octane to octanol. Also, the coupling of octanol with activated benzaldehyde would prevent the over-oxidation of octanol by the formation of an ester; octylbenzoate. The aim of the second study was to investigate the selective oxidation of toluene using TBHP at 80 °C with supported noble metal nanoparticle catalysts prepared by sol-immobilisation techniques. Au, Pd and Pt have been use to form mono, bi and trimetallic catalysts of different morphology supported on C and TiO2. These catalysts have been tested for toluene oxidation. The catalyst showing the best activity has been used for further investigation such as reuse test, using H2O2 as oxidant or O2 activation. The third project target was to oxidise propane using H2O2 in mild conditions. 2.5 wt. % Fe/ ZSM-5 (30) has been used to investigate reaction conditions in order to optimise the system. This catalyst has been acid treated; standard and treated catalysts were characterised and analysed to identify the structure and active sites. Role of supports and metals (mono and bimetallic) has been explored in order to improve this system.
Phosphorus Accumulation in Farm Ponds and Dams in Southwestern Australia

Eutrophication of farm ponds and dams (earth tanks) due to elevated dissolved phosphorus concentrations causes death of fish, crustaceans, and animals. Phosphorus accumulation in water and sediment in 50 farm ponds and dams and 2 streams was investigated for a 4000-ha area near York, Western Australia. Water, sediment, and soil samples were analyzed for total, inorganic, and organic P. Sediments contained between 4 and 54% clay. The major minerals in the clay fraction were quartz, kaolinite, and smectite with minor amounts of illite, felspars, calcite, and iron oxides. Sediments contained between 0.4 and 5.9 g kg -1 N, 6.0 and 14.3 g kg -1 Al, 15.0 and 77.0 g kg -1 Fe, and 3.0 and 80.0 g kg -1 organic carbon. The dissolved P concentration in pond, dam, and stream water ranged from 0.001 to 4.15 mg L -1 and suspended particulate P (>0.22 μm) ranged from 0.016 to 2.78 mg L -1 . Total P in sediments ranged from 29 to 1101 mg kg -1 compared with 134 to 554 mg kg -1 in soils. Inorganic P accounted for 57% of total P in sediments and 75% of total P in soils. Relationships between concentrations of total P, inorganic P, and organic P in sediments and dissolved P in dam water were linear, indicating a buffering action of the sediment constituents on dissolved P. There was a linear relationship between the concentrations of P in sediments and in soils of catchments.
Deficiency of N, P, K, Ca, Mg, or Fe Mineral Nutrients in Narcissus cv. “Garden Giant”

Abstract Narcissus cv. “Garden Giant” bulbs were grown in N, P, K, Ca, Mg, or Fe-deficient solutions and compared with bulbs grown in the control solution containing all these nutrients. Plants were sampled at 4 stages: (I) at planting, (II) at sprouting, (III) after flower senescence and/or after visible deficiency symptoms developed, and (IV) at lifting. Observation of visible deficiency symptoms showed that leaves of narcissus displayed chlorosis in the —N, —Mg, and —Fe treatments, while roots were most susceptible to Ca-deficient conditions. Root tips in the —Ca treatment showed brown in followed by root rot. In the —N treatment, shoot growth was markedly retarded and leaves were small and yellow. On the other hand, visible deficiency symptoms were not evident in the —P treatment except for early senescence. K deficiency symptoms were also not evident. Narcissus flowers were not affected by the mineral deficiencies and mineral contents in full-bloom flowers were not different between samples. In the c.
Synthesis, Characterization and Application of 2-Line and 6-Line Ferrihydrite to Pb(II) Removal from Aqueous Solution

Studies were carried out on the synthesis and characterization of 2-line and 6-line ferrihydrite. The XRD diffraction patterns for 2-line ferrihydrite exhibits two main peaks, a first-order peaks in the region 32.80 O and 67.69 O 2 with an intensities 100 and 80% respectively. The 6-line ferrihydrite gave a characteristics five essential diffraction pattern with first order peaks in the regions 7.4, 30.0, 31.1, 33.8 and 62.8 O 2 corresponding to 60, 60, 100, 100 and 50% intensities respectively. The XRF results of 2-line ferrihydrite and 6-line ferrihydrite showed Fe as the only major element. The percentage Fe was 95.20% and 93.42% for 2-line and 6-line ferrihydrite respectively. The Point of Zero Charge (pzc) of the 2-line and 6-line ferrihydrite was found to be 7.96 and 6.20 respectively. The 2-line ferrihydrite sorption capacity for Pb(II) was 127mg/g while it was 82mg/g for 6-line ferrihydrite. Adsorption was influenced by pH with maximum adsorption at pH 4 where 87.65% Pb(II) were adsorbed, after which sorption steadily decreased with increasing pH. The experimental results of Pb(II) adsorption were analyzed using Langmuir, Freundlich, and Temkin isotherms. Only Langmuir isotherm fitted the measured sorption data well. The constants obtained from the Langmuir model are 0.017, 1.72 and 0.768 for b, Qm and the regression coefficient R 2 respectively; while the 6-line ferrihydrite are 0.02, 1.99 and 0.911 for b, Qm and the regression coefficient R 2 respectively. J. Appl. Sci. Environ. Manage , Dec, 2012, 16 (4)327-336
Molecular-beam epitaxy and characteristics of GaNyAs1−x−yBix

GaNyAs1−x−yBix alloys were grown by molecular-beam epitaxy using solid Ga, Bi, and As sources and nitrogen radicals generated from nitrogen gas in rf plasma. Changing the growth temperature is found to be a convenient method for controlling the GaBi molar fraction in the alloy reproducibly. The photoluminescence (PL) spectra show that the PL peak energy of GaNyAs1−x−yBix alloy decreased with increasing GaBi and GaN molar fractions. The redshift coefficients of ∼62meV∕%Bi and ∼130meV∕%N at the PL peak energy of GaNyAs1−x−yBix were observed at room temperature. The temperature dependence of the PL peak energy in the temperature range of 150–300K is much smaller than the temperature dependence of the band gap of InGaAsP. The temperature coefficients of GaAs1−xBix and GaNyAs1−x−yBix band gaps are governed by the GaBi molar fraction and they decrease with increasing GaBi molar fraction. GaNyAs1−x−yBix alloys with different PL peak energies and lattice matched to GaAs substrates were obtained. The photoluminesc.
Temperature Dependence of the Ultrasonic Wave Absorption Coefficient in Ferrofluid Subjected to External Magnetic Field

Magnetic fluid is a colloidal suspension of magnetic particles in a carrier liquid. This paper reports a study of the effect of temperature on the absorption coefficient of ultrasonic wave Δα(T,H) in the magnetic fluid APG 513A (FerroTech Corporation) subjected to an external magnetic field. It has been established that an external magnetic field induces structural changes in the ferrofluid stimulating formation of the so-called clusters either spherical or chain-like. This process results in stiffening of the structure of the ferromagnetic fluid [1] and affects the propagation rate and absorption coefficient of the ultrasonic wave. In the ferromagnetic fluid not subjected to an external magnetic field the ultrasonic wave absorption is mainly related to absolute viscosity η s and volume viscosity η v :
Die Rolle reaktiver Sauerstoffspezies bei der proliferativen Signaltransduktion ausgelöst durch verbrennungsgenerierte ultrafeine Umweltpartikel in Lungenepithelzellen

Ultrafeine Partikel (UFP) mit einem Durchmesser kleiner als 100 nm gelten aufgrund ihrer Grose und Oberflacheneigenschaften als eine besonders toxische Fraktion von Umweltstaub. UFP entstehen hauptsachlich durch Verbrennungsprozesse und beinhalten biologisch und chemisch reaktive Komponenten von toxikologischer Relevanz: einen ultrafeinen kohlenstoffhaltigen Kern und daran gebundene organische Verbindungen und (Ubergangs-) Metalle. Anhand eines kombinatorischen Systems von Modell-UFP bestehend aus ultrafeinen Kohlenstoffpartikeln (CB), Benzo[a]pyren-beschichteten CB-Partikeln und Eisen-III-Sulfat (FS) wurden in der vorliegenden Arbeit mogliche modulatorische Effekte der Partikelkomponenten untereinander in der Rattenlungenepithel-Zellline RLE-6TN untersucht. Im Mittelpunkt stand die fur die partikelinduzierte Zellproliferation relevante Signaltransduktion uber AKT und ERK1/2. CB-Partikel induzieren die Aktivierung von AKT und ERK1/2. Partikelgebundenes Benzo[a]pyren hat auf diesen Effekt keinen Einfluss. Dagegen fuhrt die Anwesenheit von FS zu einer Verstarkung der CB-induzierten AKT- und ERK1/2-Aktivierung. FS selbst induziert ebenfalls die Aktivierung beider Signalproteine. Die in UFP befindlichen Ubergangsmetalle konnen somit als Modulatoren der partikelinduzierten Signaltransduktion wirken. Ferner sind CB und FS beide in der Lage, die Generierung von extra- und intrazellulare ROS zu induzieren. Die CB-abhangige intrazellulare ROS-Generierung lasst sich durch FS verstarken, und spiegelt damit die beobachteten Signaltransduktionseffekte wider. Inhibitorstudien zeigten, dass die Aktivierung von AKT und ERK1/2 sowohl mit extra- als auch mit intrazellularen ROS in Verbindung steht. Damit ergibt sich die Korrelation zwischen dem partikelinduzierten oxidativen Stress und der AKT- und ERK1/2-Aktivierung. Auf der Ebene der Membranrezeptoren zeigte sich, dass der EGF-Rezeptor einen gemeinsamen Vermittler der CB- und FS-induzierten Effekte bildet. Die Beteiligung von s1- Integrinen scheint dagegen eine Spezifitat fur die CB-induzierte Signaltransduktion zu besitzen. Die Arbeit zeigt also, dass partikelinduzierte ROS und oxidativer Stress initiale molekulare Ereignisse darstellen, die zur Aktivierung eines EGF-R- und Integrinvermittelten proliferativen Signalweges uber AKT und ERK1/2 fuhrt.
Fast-growth thermodynamic integration: Calculating excess chemical Potentials of additive molecules in polymer microstructures

We have calculated excess chemical potentials of additive molecules in a bisphenol A-polycarbonate matrix using fast-growth thermodynamic integration. It is shown that this method, which is based on Jarzynski's nonequilibrium work theorem, is ideally suited to overcome some of the typical sampling problems one meets when inserting large additive molecules into a dense polymer matrix. The method provides a direct link between the calculated excess chemical potential and the atomic-scale environment preferred by the inserted molecule. We discuss for which types of free-energy landscapes fast-growth thermodynamic integration is well suited and which are the optimal parameters to use.
Mécanisme de conduction protonique au sein de membranes hybrides pour piles à combustible

Recemment percues comme une Alternative aux energies fossiles, les Piles a combustible recoivent un grand interet. Les Piles a combustible a membrane echangeuse de proton sont commercialisees avec un electrolyte compose d'un polymere perfluore, le Nafion. Ce dernier, au prix prohibitif ainsi qu'aux proprietes reduites a forte temperature, est un frein au developpement industriel de cette categorie de PAC. Cette these presente une alternative originale. Une membrane electrolyte, associant proprietes pertinentes de la chimie du sol-gel (chimie douce, aisement parametrable) au procede electrospinning. Une formulation ideale a ete trouvee au travers d'une maitrise des parametres de synthese et de procede ; une membrane hybride associant domaines Organique et Inorganique. Le travail s'axe ensuite autour de la comprehension de la diffusion protonique au sein de ce materiau multi-echelle. Cles des performances des membranes, une analyse microstructurale complete a ete effectuee (MEB, FTIR, ATG, RMN). Elle a permis une correlation aux differentes echelles de la structure de la membrane et du transport protonique. Le travail de comprehension s'est alors concentre sur les phenomenes multi-echelles, par mesure dielectriques a large bande, revelant differentes echelles de diffusion du proton (mis en avant par spectroscopie d'impedance electrochimique, par RMN a gradient de champ et par diffusion quasi-elastique de neutrons).
Flavonoids from Rosa Damascena Mill. †

A new flavanone glycoside, butin 4′-O-(2″-O-β-D-apiofuranosyl)-β-D-glucopyranoside (1), together with liquiritin (2), liquiritin apioside (3), isoliquiritn apioside (4), davidioside (5), quercetin (6), kaempferol (7), kaempferol 3-O-β-D-glucopyranoside (8) and kaempferol 3-O-α-L-arabinofuranoside (9) were isolated from the marc of Rosa damascena flowers after industrial distillation of essential oil. This is the first report of the occurrence of compounds 2, 3, 4 and 5 in R. damascena. The structures of the isolated constituents were established on the basis of spectroscopic {UV, IR, 1D, 2D NMR (DEPT, HMQC, HMBC and COSY)}, spectrometric (ESI-QTOF-MS), and chemical evidence.
A Study on Seasonal Variability of Trace Elemental Status of Forages for Grazing Ruminants

ABSTRACT An investigation was conducted to determine the trace- mineral concentrations of forages in relation to requirements of ruminants grazing in natural pastures in the province of Punjab, Pakistan during two different seasons. Animals were closely followed during grazing and forages corresponding to those consumed by the animals were taken and analyzed for copper (Cu), iron (Fe), zinc (Zn), manganese (Mn), and cobalt (Co) concentrations. The data on the trace- mineral concentrations showed that most of these minerals varied greatly as a function of seasons and sampling periods. The forage Cu, Fe, and Zn concentrations were affected by seasonal changes but no influence of season was observed on the concentrations of forage Mn and Co concentration. Forage Zn and Co, during both seasons and at some sampling intervals, and forage Mn during summer were at marginal deficient levels, and in contrast, all other forage trace-minerals were within the required range for ruminants during both seasons. Based on these results, the supplementation of Zn, Co, and Mn would seem most important to support optimum livestock productivity.
Biodegradation of 2-Methylisoborneol by Oligotrophic Bacterium Isolated from a Eutrophied Lake

2-Methylisoborneol (MIB) is one of several causative compounds responsible for musty odor problems of drinking water. The purpose of this study was to investigate the kinetics of MIB biodegradation and utilization of other organics by Bacillus sp. This bacterium was isolated from the backwash water of a rapid sand filter used to treat water from Lake Kasumigaura. The isolated organism was an oligotrophic bacterium that can grow on a medium containing 0.1 mg/l of MIB as a sole carbon source. A laboratory experiment showed that a biofilm reactor seeded with the cells of this bacterium continuously removed approximately 90 % of 600 ng/l MIB.
Crystal structure of bis(4,5-diaza-fluoren-9-one-κ2N,N) dioxo-μ2- oxodirhenium(V)- acetonitrile (1:2), C26H18Cl4N6O5Re2

C26H18Cl4N6O5Re2, monoclinic, P21/c (no. 14), a = 10.0110(4) Å, b = 14.1829(6) Å, c = 10.7113(4) Å, % = 96.265(2)°, V = 1511.8 Å, Z = 2, R(F) = 0.0230, wRref(F ) = 0.0542, T = 200 K.
A laser source for the generation of intense attosecond pulses and its first applications

The continuous development and improvement of laser sources has steadily increased the number of applications and pushed the limit of high precision measurements in various fields. The goal of the work presented in this thesis is to improve the spectrally broadened Ti:sapphire laser system used for isolated extreme ultraviolet (XUV) pulse generation, which has, in the last decade, allowed the study of electron dynamics on a sub-femtosecond (1 fs = 10^-15 s) level and delivered new insights into ultrafast dynamics of electrons in atoms, molecules and solids. By adding a second stage amplifier to the commonly used one-stage chirped pulse amplification laser system the compressed output power of a sub-5 fs laser system has been tripled to 1.5 mJ. A crucial part for achieving this result is the comparison of two different efficient compressor setups in order to optimize the compression. With these higher pulse energies, it is possible to increase the generated photon ux in an isolated attosecond (10^-18 s) pulse and to push the XUV photon energy higher. Run at 4 kHz repetition rate, integrative measurements with sub-2 cycle laser pulses can be conducted much faster than with most laser sources in this energy range. The resulting pulses are used for high-harmonic generation (HHG) and characterized via attosecond streaking, demonstrating excellent stability and quality of the whole laser system. First experiments with these pulses were conducted by probing the temporal behavior of the photo-emission of the giant resonance of 4d electrons in xenon with broadband XUV-pulses at 100 eV and inducing and measuring the nonlinear propagation in fused silica at high intensities via its effect on the waveform of the ultra-short visible-near-infrared pulse measured by means of attosecond streaking. The higher pulse energy of the driving laser field will also prove to be very useful as soon as nonlinear effects besides HHG contribute to the pump and probe setup e.g. an ultrashort UV-pulse is used to pump electron dynamics which are subsequently probed with high temporal resolution by the XUV-pulse.
Physicochemical property changes during the fermentation of longan (Dimocarpus longan) mead and its aroma composition using multiple yeast inoculations

Mead is a traditional drink obtained from diluted honey with the appropriate yeast inoculations. However, the production of mead is time-consuming, and the process often takes several months to accomplish. During the elaboration of mead, sluggish and stuck fermentations often occur and lead to the production of undesirable flavours. To improve the condition of longan mead production in Taiwan, multiple yeast inoculations with different strains of yeast were examined in this study. The physicochemical properties and mead aroma compounds were measured. Longan mead without multiple inoculations, but with added yeast nutrients, displayed a sharp increase in ethanol content compared with the inoculated groups without yeast nutrients. However, the physicochemical properties of every mead reached almost the same endpoint at the end of the fermentation time (day 22). Moreover, differences among the groups were observed in their aroma compounds. Some aroma compounds, such as 2-methyltetrahydrothiophen-3-one, 1-propanol and 2-methylbutyl acetate, were only found in the double-inoculation groups, whereas other aroma compounds, such as phenethyl acetate and linalool, were only found in the single-yeast inoculation groups. These results demonstrate that multiple inoculations have a positive effect on longan mead fermentation. This technique could assist local producers in elaborating a longan mead of acceptable quality. Copyright © 2013 The Institute of Brewing & Distilling
Towards Simulations of Outer Membrane Proteins in Lipopolysaccharide Membranes

Atomistic simulations of the outer membrane of Pseudomonas aeruginosa constituted of monolayers with 64 LPS molecules and 160 PE molecules were performed. The Amber96 force field and our extensions of the Glycam93 force field were used together with periodic boundary conditions the smooth Particle Mesh Ewald method. Simulation derived properties of LPS membranes are shown to exhibit good agreement with available experimental data within the time scale simulated, chosen force field and simulation conditions. The molecular model used offers an accurate representation the high asymmetry and low fluidity characteristics of outer membranes.
COLLAGEN TYPES I AND III IN BOVINE MUSCLES: INFLUENCE OF AGE AND BREED

Composition and amount of intramuscular connective tissue vary among muscles, age and breed. The purpose of this study was to determine in vivo the proportion of collagen I and III fibers in the Longissimus thoracis (LT) and Gluteus medius (GM) muscles at different ages (6, 12 and 24 months) in the Criolla and Aberdeen Angus bovine breed (24 months) Muscular samples were taken and histological cuts were treated with the picrosirius-red polarization method. The study was performed by light microscope with Polaroid filters and ocular reticulum. Type I fibers between GM and LT muscles, has shown differences only at 12 months old. Regarding Type III fibers, no differences were found between the both muscles at the three ages. When GM muscle was studied, differences were observed in the Type I fibers among the three ages, the major percentage was observed at 24 months. Significant differences were found in Type I as well as Type III fibers in LT at 24 months between Aberdeen Angus and Criolla breeds. PRACTICAL APPLICATIONS The variation in proportion of Types I and III collagen in muscles and its relationship to meat texture has been investigated, although results are not conclusive and they are often contradictory. The present inability to elucidate the relationship between phenotypic variations in the intramuscular connective tissue (IMCT) and meat texture is due to our rudimentary understanding of fibril composition. Investigation of post-mortem treatment of meat to reduce the IMCT contribution to meat toughness has not been completely successful. The knowledge and manipulation in vivo of the proportion and maturity of IMCT may be a possible means of reducing unwanted variability in meat tenderness. Evaluation of collagen fibers Type I and III by the present histological technique could be used as a potential indicator of meat tenderness.
Copper removal by polymer immobilised Rhizopus oryzae

Rhizopus oryzae , strain IMI 057412, was immobilised by inclusion in six different polymers: polyvinlformal, polysulfone, polyurethane, alginate, polyacrylamide, k-carrageenan, polyethyleneimine(PEI). It was also grown on a seventh, polyurethane. The biomass/polymer matrices were formed into equal size units (4 mm spheres or cubes) and the resulting biomass/polymer matrices were used to uptake copper at 2 mg/l from a laboratory-formulated copper solution in shake flask experiments at room temperature and initially neutral pH. Results showed that the copper uptake capacity of immobilised biomass was either equal to or less than that of free biomass. Biomass immobilised in polyurethane gave a capacity equal to that of free biomass, while other matrices hindered the uptake to different degrees. The k-carrageenan matrix proved to be unstable in the copper solution and dissolved during the experiment releasing the biomass and leading to an erroneous result. The polymer matrices without biomass, with theexception of alginate and polysulfone, showed no measurable copper adsorption capacity. All the experiments were conducted in duplicate with a maximum variation between them of 7%.