Miracle-dz/UniFAR-FTUs huggingface dataset:
Untersuchungen von Chalcogenophosphaten und Chalcogenophosphathalogeniden

Im Rahmen der Dissertation wurden neue Chalcogenophosphate und Chalcogenophosphathalogenide dargestellt und ihre Kristallstrukturen mit Einkristallmethoden untersucht. Eine Gruppe bilden die Hexachalcogeno-Hypodiphosphate mit der Zusammensetzung M2P2X6 (M = Erdalkalimetall, Eu, Zn; X = S, Se). Sie kristallisieren in verschiedenen Strukturtypen. Mit den Metallen Ca, Sr, Ba und Eu wird die Hochtemperaturform von Sn2P2S6 gebildet. Im Fe2P2Se6-Typ kristallisieren Mg2P2Se6 und Zn2P2Se6, wahrend Mg2P2S6 den Fe2P2S6-Typ bildet. Gemeinsames Merkmal sind (P2X6)4--Anionen, die in einer zum Ethan analogen gestaffelten Konformation vorliegen. Mit der Verbindung Eu2P2S6 wurden Suszeptibilitatsmessungen durchgefuhrt und ein 151Eu Mossbauer-Spektrum aufgenommen, deren Ergebnisse auf stabiles zweiwertiges Europium schliesen lassen. Zu der Gruppe der Orthochalcogenophosphate gehoren die ternaren Verbindungen Ag3PS4, Ba3(PX4)2 (X = S, Se) und AuPS4, deren anionische Komponenten aus isolierten PS4-Tetraedern bestehen. AuPS4 besteht aus 1[AuS4/2PS4/2]-Ketten, in denen sich nahezu quadratische planare AuS4-Einheiten mit PS4-Tetraedern abwechseln und uber gemeinsame Kanten miteinander verknupft sind. Bandstrukturrechnungen verdeutlichen den kovalenten Bindungscharakter der P-S-Bindung und den mehr ionischen Charakter der S-Au-Wechselwirkung. In den quaternaren Verbindungen LiZnPS4, LiEuPS4 und KBaPX4 (X = S, Se) wird die anionische Ladung durch ein- und zweiwertige Metall-Ionen ausgeglichen. Die Verbindungen Ag5PS4Cl2 und Ag15(PS4)4Cl3 leiten sich von einer modifizierten Ag3PS4-Struktur ab und enthalten neben PS43--Anionen auch Chlorid-Ionen. In Ag15(PS4)4Cl3 werden die Ag+-Atome von den S- und Cl-Atomen tetraedrisch und in Ag5PS4Cl2 sowohl tetraedrisch als auch trigonal-planar koordiniert. Im Argyrodit-Typ kristallisieren die Verbindungen M6PS5Hal (M = Cu, Ag; Hal = Cl, Br, I). Neben den PS43--Anionen und Chlorid-Ionen sind hier isolierte S2--Anionen vorhanden. Die Anionen bilden mittels sich durchdringender Frank-Kasper-Polyeder dichte Packungen, in deren Tetraederlucken die Ag+-Ionen verteilt sind. Ein Merkmal der Argyrodite ist die grose Fehlordnung der Metall-Kationen im anionischen Strukturgerust, so das sie als Ionenleiter in Frage kommen. In der Kristallstruktur von BaP4Te2 sind P4Te2-Ketten aus miteinander verknupften sechsgliedrigen P-Ringen in Sesselkonformation enthalten. In diesem Strukturfragment des schwarzen Phosphors sind die seitlichen P-Atome jeweils mit einem Te-Atom verbunden. Anhand von Bandstrukturrechnungen wird belegt, das es sich bei den P-Te-Wechselwirkungen um kovalente Bindungen handelt. BaP4Te2 ist gemas Ba2+(P0)4(Te-)2 elektrovalent aufgebaut und fugt sich in das Zintl-Konzept ein.
Understanding the factors that govern the deposition and morphology of thin films of ZnO from aqueous solution

The influence of the choice of complexing ligand, zinc counter-ion, pH, ionic strength, supersaturation, deposition time and substrate on the nature of ZnO films grown from chemical baths (CBD) are discussed. There are significant differences between CBD and similar routes such as hydrothermal methods for ZnO films. Modelling of speciation and experimental results suggest that acicular ZnO morphologies are best obtained by limiting the concentration of one of either Zn2+ or OH− in the presence of a large excess of the other. The presence of a prior ZnO layer can facilitate nucleation at lower levels of supersaturation and enable size tailoring of ZnO columns. The point at which the substrate is introduced into the bath is crucial and can lead to a significant difference in both the width of the rods and optical transparency of the films. HR-TEM has yielded important structural information and a growth mechanism for single crystalline ZnO rods by CBD is described for the first time.
Trace elements in soils and plants

Chapter 1 The Biosphere Chapter 2 The Anthroposphere Introduction Air Pollution Water Pollution Soil Plants Chapter 3 Soils and Soil Processes Introduction Weathering Processes Pedogenic Processes Chapter 4 Soil Constituents Introduction Trace Elements Minerals Organic Matter Organisms in Soils Chapter 5 Trace Elements in Plants Introduction Absorption Translocation Availability Essentiality and Deficiency Toxicity and Tolerance Speciation Interaction Chapter 6 Elements of Group 1 (Previously Group Ia) Introduction Lithium Rubidium Cesium Chapter 7 Elements of Group 2 (Previously Group IIa) Beryllium Strontium Barium Radium Chapter 8 Elements of Group 3 (Previously Group IIIb) Scandium Yttrium Lanthanides Actinides Chapter 9 Elements of Group 4 (Previously Group IVb) Titanium Zirconium Hafnium Chapter 10 Elements of Group 5 (Previously Group Vb) Vanadium Niobium Tantalum Chapter 11 Elements of Group 6 (Previously Group VIb) Chromium Molybdenum Tungsten Chapter 12 Elements of Group 7 (Previously Group VIIb) Manganese Technetium Rhenium Chapter 13 Elements of Group 8 (Previously Part of Group VIII) Iron Ruthenium Osmium Chapter 14 Elements of Group 9 (Previously Part of Group VIII) Cobalt Rhodium Iridium Chapter 15 Elements of Group 10 (Previously Part of Group VIII) Nickel Palladium Platinum Chapter 16 Elements of Group 11 (Previously Group Ib) Copper Silver Gold Chapter 17 Trace Elements of Group 12 (Previously of Group IIb) Zinc Cadmium Mercury Chapter 18 Elements of Group 13 (Previously Group IIIa) Boron Aluminum Gallium Indium Thallium Chapter 19 Elements of Group I4 (Previously Group IVa) Silicon Germanium Tin Lead Chapter 20 Elements of Group 15 (Previously Group Va) Arsenic Antimony Bismuth Chapter 21 Elements of Group 16 (Previously Group VIa) Selenium Tellurium Polonium Chapter 22 Elements of Group 17 (Previously Group VIIa) Fluorine Chlorine Bromine Iodine
Hydraulic Properties of Some Important Soil Groups of Orissa

Hydraulic and physicochemical properties of twelve soils belonging to Aquic Haplustalf, Aquic Ustifluvent, Typic Plinthustalf, Aquic Ustochrept I, Typic Ustipsamment, Aquic Ustochrept II, Typic Ustochrept, Vertic Ustochrept, Aeric Haplaquept, Ultic Haplustalf, Udic Haplustalf and Typic Haplustalf were studied. Retention (Ψ-θ), penetrability (P), intrinsic penetrability (Pi), sorptivity (S), weighted mean diffusivity (D) and intrinsic weighted mean diffusivity (D) of water in the soils were determined. Water retention and available water capacity were high in Typic Plinthustalf, Aquic Ustochrept I, Aquic Ustoehrept II and Vertic Ustochrept; medium in Aquic Haplustalf, Aquic Ustifluvent, Typic Ustochrept, Aerie Haplaquept and Ultic Haplustalf; and low to very low in Typic Ustipsamment, Udic Haplustalf and Typic Haplustalf. Water transmission properties of the soils under unsaturated condition, viz. D(θ) and K(θ), were evaluated in specially designed plexiglass columns. Scaled soil water diffusivity, D*(θ) and pressure head, h* (θ) versus reduced soil water content, (θ) were developed to estimate D(θ) and h(θ) values.
Reanalysis processes in native and non-native language comprehension

Temporarily ambiguous sentences (e.g., When Mary dressed the baby laughed happily.) are known to cause comprehension difficulties, as initially assigned interpretations (Mary dressed the baby) need to be revised but are not always fully discarded from memory. The similarities and differences between native (L1) and non-native (L2) sentence processing have been widely debated, and many studies have examined L1 and L2 ambiguity resolution. How L2 speakers deal with misinterpretation is however less known. Further, while studies have looked at ambiguous sentences, how reanalysis occurs in both L1 and L2 speakers in sentences containing filler-dependencies (e.g., It was the book which the boy read the article about.) is not known. This thesis reports three studies investigating these issues in L1 and L2 processing, using offline, eyetracking while reading and structural priming tasks. The results showed that L2 participants performed syntactic reanalysis like L1 participants during the processing of garden-path sentences, with both groups showing evidence of lingering misinterpretation. Lingering misinterpretation was also found in filler-gap sentences, but there were some L1/L2 differences in certain fillergap constructions such that reanalysis may be less complete for L2 than L1 speakers during online reading, depending on the nature of disambiguating cues and/or reanalysis difficulty. In general, the lingering misinterpretation observed in temporarily ambiguous and filler-gap sentences in both L1and L2 readers results at least partly from failures to discard initially assigned misinterpretations.
Effect of pH on the toxicity and biodegradation of pentachlorophenol by Sphingomonas sp strain P5 in nutristat culture

A polychlorinated‐phenol degrading bacterium, Sphingomonas sp. strain P5, was grown in nutristat culture (i.e., a continuous culture at a controlled substrate concentration) with pentachlorophenol (PCP) as the sole carbon and energy source. During steady state conditions, the effect of the medium pH on the growth of strain P5 on PCP was established. At lower pH values PCP exhibited a stronger toxicity than at higher pH values. Inhibition of the growth of strain P5 by PCP was correlated to the concentration of the undissociated phenol in the system, rather than to the dissociated or total PCP concentration. The results indicate that acidification of natural environments may enhance the toxicity of chlorophenols and suggest that treatments to increase environmental pH may reduce risk of chlorophenol toxicity at acidified sites.
Experimental Combustion Studies of Two-Dimensional Ammonium Perchlorate-Binder Sandwiches

Abstract In order to obtain information essential to the future success of analytical modeling of solid propellant combustion, an experimental investigation was conducted using the quench combustion of two-dimensional propellant sandwiches prepared with AP oxidizer and four conventional propellant binders—polysulfide (PS), polyurethane (PU), polybutadiene acrylic acid (PBAA), and carboxy terminated polybutadiene (CTPB). Propellant sandwiches, prepared with both single crystal sheets and compacted polycrystalline sheets, were burned and quenched at combustion pressure levels from 300 psig (20 kg/sq cm) to 2400 psig (163 kg/sq cm) for a range of binder lamination thicknesses varying between 25 and 200 microns. The features of the quenched sandwiches indicate that there is considerable interplay between the binder and oxidizer species on the oxidizer portion of the sandwich surface, primarily through the ability of the binder to form a flowable melt prior to gasification; sandwiches prepared with all four fu.
Spectroscopic signatures of doorway-mediated intersystem crossing

Intersystem crossing in acetylene, C2H2, is described by a doorway-mediated model, where singlet-triplet mixing between the first excited singlet state, S1, and the manifold of low-lying T1,2 states is controlled by special vibrational levels of the third excited triplet state, T3. However, the influence of T3 doorway states on the A 1A u , X1 E spectrum of acetylene is not well characterized for most S1 vibrational levels. The doorway model is formulated to account for the LIF/SEELEM spectra of S1 vibrational sublevels that are weakly perturbed by T3 doorway states. The structure and properties of a doorway-mediated effective Hamiltonian are discussed, and a method for spectral deconvolution is presented for the doorway model. The dependence of fluorescence center-of-gravity on the time delay of a gated integration region is developed as an analysis tool for LIF spectroscopy. Triplet perturbations in the spectra of four S1 vibrational sublevels are discussed in terms of the doorway model, using this new tool. IR-UV double resonance LIF/SEELEM spectroscopy is used to investigate the role of the torsional and "cis"-bending vibrational modes of S1 in the promotion of vibrational overlap between levels of S, and T3.A collisional method for the population of metastable molecules in a pulsed supersonic expansion is presented and discussed. Thesis Supervisor: Robert W. Field Title: Haslam and Dewey Professor of Chemistry
Ketone Adsorption on Montmorillonite1

Ketone adsorption by montmorillonite was found to be greatly influenced by the nature of the exchangeable cation. Mechanisms of bonding included (i) direct ion-dipole interaction of the carbonyl with the ion in cases where the ion had a low hydration energy or where special treatments were used to dehydrate the ion; (ii) outer sphere coordination to the metal ion by bridging through directly coordinated water molecules; (iii) formation of electrovalent bonds through proton donation by 2,4 pentanedione to the clay saturated with Al or Cu ions to form the acetylacetonates of these ions.
On exact and approximate methods of calculating an overall termination rate coefficient from chain length dependent termination rate coefficients

In this paper is tackled the problem of calculating the overall termination rate coefficient 〈kt〉 which follows from values of kti, j, by which is denoted the rate coefficient for termination between two free radicals of degrees of polymerization i and j, respectively. The significance of this problem is that polymerization experiments yield 〈kt〉 values, whereas microscopic models predict Kti,j values. An assumption-free method is presented for computing the steady state 〈kt〉 corresponding to a set of Kti,j values. Parallel to this, approximate methods for calculating steady state 〈kt〉 values are developed: the so-called short-long approximation is used, and coarse graining of the radical chain length distribution is applied. Calculations are firstly carried out using a microscopic termination model which describes an intermediate conversion polymerization system, and then a set of calculations are performed with low conversion conditions in mind. Comparison of the completely exact solutions with the various approximate solutions reveals which of the approximate and therefore more tractable models is suitable for accurate, microscopic modeling of polymerization kinetics at the different physical conditions envisaged. In this respect the credentials of one of the coarse grain approaches are found to be persuasive. Also executed are calculations probing how values of 〈kt〉 depend on factors, such as the rate of propagation and of chain transfer to monomer, not traditionally regarded as having anything to do with termination rates; interesting results emerge. Because calculations are carried out with real systems very much in mind, the latter (and other) results are felt to be genuinely relevant to the mechanism of actual free radical polymerizations.
Selective hydrogenation of phenol and derivatives over an ionic liquid-like copolymer stabilized palladium catalyst in aqueous media

A combination of “water soluble” palladium nanoparticles stabilized by an ionic liquid-like copolymer and phosphotungstic acid synergistically promotes selective hydrogenation of phenol to cyclohexanone. The nanocatalyst preparation and selective phenol hydrogenation are successfully combined into a one-pot process in this research. Conversion exceeding 99% was achieved with >99% selectivity under an atmospheric pressure of hydrogen in aqueous media. Moreover, even at room temperature, >99% conversion and >99% selectivity could still be obtained. The generality of the catalyst system for this reaction was demonstrated by selective hydrogenation of other hydroxylated aromatic compounds with similar performance.
Synthesis of Biodiesel from Castor Oil and Linseed Oil in Supercritical Fluids

Biodiesel synthesis (transesterification of triglycerides of higher fatty acid to methyl and ethyl esters) from castor oil and linseed oil using methanol and ethanol was investigated at subcritical and supercritical conditions of methanol and ethanol from 200°C to 350°C at 200 bar. The effect of molar ratio of alcohol to oil, temperature, and time was investigated in supercritical methanol and ethanol. The kinetics of the reaction was first order,and the activation energies were determined from the temperature dependence of the rate coefficients. Biodiesel was also synthesized enzymatically with Novozym 435 in supercritical carbon dioxide {(ScCO_2)}. The effect of various parameters such as enzyme loading, alcohol to oil molar ratio, temperature, and time was investigated in these systems. A simplified model, based on the Ping Pong Bi Bi with competitive inhibition mechanism,was proposed to describe the enzymatic transesterification kinetics for castor oil with methanol and ethanol.
Gasoline Vapor Biofiltration

While gasoline vapor emissions are common sources of air pollution, very few results have been published on the biofilter biodegradation of gasoline vapors in flowing waste gases. This investigation reports on a bench‐scale biofilter of an ID of 50 mm and a bed height of 850 mm with an inexpensive fire clay chip medium as a packing material. The biofilter was inoculated with a concentrate of a mixed culture of the common microflora. After an acclimatization period of three weeks, loading tests were carried out at increasing gasoline inlet concentrations at a constant Empty Bed Retention Time (EBRT) of 16 min. Evaluating the removal rate and efficiency of aliphatic and aromatic fractions of the gasoline vapor, it was found that in a range of overall organic loading (OLTPH) up to 33.6 g/m3 h the removal efficiency of aromatic hydrocarbons decreased from 90 to 70 %, while that of the aliphatic components decreased much more significantly from 60 to 10 % after six months of operation. The removal rate and efficiency achieved for total petroleum hydrocarbons were 13 g/m3 h and 45 %, respectively. The microbial strains and genera of culturable cells in the inoculum and in the biofilm after six months of gasoline degradation were evaluated.
Distance Learning: A Viable Alternative to the Conventional Lecture-Lab Format in General Chemistry

Student performance in two first-semester general chemistry courses are compared to determine whether a distance learning model can provide a comparable learning opportunity to the conventional lecture–laboratory format. The conventional course was taught at a midsized, southeastern university; the distance learning course was taught through a community college. The laboratory portion of the distance learning course consisted of at-home (kitchen chemistry) experiments. For the first two semesters (Version I), the lecture portion of the course was delivered via the Internet and the students met on campus each week for a laboratory–recitation session. For the following three semesters (Version II), all instruction was offered via the Internet. In every semester, distance learning students achieved higher average scores than their university counterparts on common final exams. In laboratory practicals, distance learners demonstrated manipulation, data analysis, and data reporting skills that surpassed those .
Effect of flat covers and plant density on yielding and quality of kohlrabi

Kohlrabi is a fast growing, cool season vegetable cultivated primarily for its enlarged stem, which is rich in nutritional components, especially vitamin C and potassium. In two factorial experiment conducted in 2004-2006 there was estimated the effect of plastic covers (perforated plastic film, non woven agrotextile) and plant density (20x15, 25x20 cm) on yield and nutritional value of kohlrabi cultivated in spring season. The significant highest early and marketable yields were obtained from plots covered with agrotextile. The higher density of plants resulted in increased kohlrabi yield. Kohlrabi cultivated under covers had lower level of dry matter, reducing and total sugars. There was not observed the effect of covers on vitamin C concentration. Kohlrabi grown in spacing 20x15 cm contained higher amount of nitrates, vitamin C and reducing sugars in comparison to spacing 25x20 cm.
Weed dynamics and productivity of spring maize under different tillage and weed management methods

A field experiment was conducted during spring season of 2013 on sandy loam soil at Rampur, Chitwan, Nepal to study the effect of tillage and weed management methods on weeds dynamics and productivity of spring maize ( Zea mays L.). Two tillage methods namely zero and conventional and six weed management methods namely weedy check, weed free, atrazine 1.5 kg/ha as pre emergence, atrazine and glyphosate as pre emergence, atrazine pendimethalin as pre emergence and atrazine and one hand weeding (HW) at 40 Days after sowing were tested in a strip plot design with three replications. Total weed density and dry weight recorded in conventional tillage were significantly higher than that of zero tillage at almost all growth stages. The tank mixed application of atrazine with glyphosate was found significantly more effective than with pendimethalin and Hand Weeding at 40 Days after sowing. The grain yield of maize was not affected significantly by tillage methods but it was lower in conventional tillage in comparison to zero tillage. The grain yields obtained in double combinations of atrazine with glyphosate (6.69 t/ ha), pendimethalin (6.24 t/ha) and HW at 40 DAS (6.48 t/ ha) were comparable to each other but significantly superior over its sole application and equally effective as weed free condition (7.18 t/ ha). Thus, the maize can be successfully cultivated in zero tillage and combination of atrazine either with glyphosate or with HW at 40 DAS as alternatives of manual weeding to achieve higher grain yield in spring season.
Controllable Synthesis of Stable Urchin-like Gold Nanoparticles Using Hydroquinone to Tune the Reactivity of Gold Chloride

We reported an aqueous synthesis of urchin-like gold nanoparticles (NPs) in the presence of hydroquinone through a seed-mediated growth approach. By altering the feed ratio of hydroquinone, seeds, and additional HAuCl4, the diameters of urchin-like NPs were tunable from 55 to 200 nm. Accordingly, the centers of surface plasmon resonance absorption shifted from 555 to 702 nm. Systematical analysis revealed that the generation of urchin-like particles as well as their size evolution strongly depended on the reactivity of gold ions, mainly controlled by the concentration of hydroquinone. At low hydroquinone concentration, only spherical particles were achieved. The increase of the hydroquinone concentration promoted a kinetics-favored deposition of gold atoms on the (111) lattice planes and thereby the growth of branches. Moreover, the as-prepared urchin-like particles possessed good structural stability, which could be kept in the growth solution for more than 10 days without morphology variation.
Prussian Blue/Reduced Graphene Oxide Composite for the Amperometric Determination of Dopamine and Hydrogen Peroxide

Prussian blue has significant application for the construction of electrochemical biosensors. In this work, Prussian blue-reduced graphene oxide modified glass carbon electrodes were successfully fabricated using electrochemical deposition. The high surface area of graphene oxide enhanced the deposition of Prussian blue and the resulting electrocatalytic activity. Infrared spectroscopy and scanning electron microscopy showed that the relatively porous Prussian blue was on the surface of reduced graphene oxide. Cyclic voltammetry showed that Prussian blue-coated reduced graphene oxide composite films improved electron transfer compared to Prussian blue films. The Prussian blue-reduced graphene oxide composite film provided higher response for the reduction of hydrogen peroxide and the oxidation of dopamine compared with the Prussian blue film due to synergistic effects between the reduced graphene oxide and Prussian blue particles. The sensitivity of the electrode was 0.1617 µA µM−1 cm−2. The linear dynamic range extended from 0.5 µM to 0.7 mM dopamine with a limit of detection equal to 125 nM. This work provided a versatile strategy for the design and construction of sensitive amperometric sensors with robust electrocatalytic behavior.