Miracle-dz/UniFAR-FTUs huggingface dataset:
Binder-free α-MoO3 nanobelt electrode for lithium-ion batteries utilizing van der Waals forces for film formation and connection with current collector

We demonstrate a facile and effective way for the fabrication of a flexible, homogeneous and neat α-MoO3 thin-film electrode for lithium-ion batteries with high performance without using any binder and conductive additives. Single-crystalline α-MoO3 nanobelts with uniform width of around 200 nm and length at the micrometer level are first synthesized by a simple water-based hydrothermal route. The as-obtained α-MoO3 slurry is then directly deposited onto a copper foil current collector by the doctor blade method. The formation of the α-MoO3 film and its good adhesion to the current collector is realized via van der Waals attraction forces through a drying process. The structure and morphology of the α-MoO3 nanobelt particles and thin-film electrode are systematically characterized by XRD, Raman spectra, TEM, SEM and XPS techniques, and the electrochemical properties are investigated by CV and constant current discharge–charge test techniques. The α-MoO3 film electrode exhibits a reversible specific capacity of ∼1000 mA h g−1 at 50 mA g−1 and a stable capacity retention of 387–443 mA h g−1 at 2000 mA g−1, indicating its high Li storage capacity, superior rate performance and good cycling stability. The electrode material, as well as the fabrication technique, is highly promising for practical use in high energy and power density lithium-ion batteries.
Photoelectron effects in x‐ray mask replication

In this paper some experimental observations of the interference of photoelectrons in an x‐ray mask replicating process are reported on. High resolution low contrast (i.e., producing absorbed dose ratios of less than 2) x‐ray masks have been used to produce lines smaller than 0.1 μm in poly(methlmethacrylate) (PMMA) on a silicon substrate with an aspect ratio of about 2. When the experiment was repeated on a gold plated substrate, anomalous adhesion problems were encountered. Lines smaller than 0.2 μm, for example, had poor adhesion, and those smaller than 0.1 μm had entirely lifted off. A higher contrast mask, with a dose contrast of about 6, and with smaller features was tried on the same two substrates. Using this mask, 800 A lines in PMMA in 0.5 μm thick resist have been demonstrated, with good adhesion. These effects are consistent with the assumption that the x rays that penetrate the mask’s absorber, and the resist, but are absorbed in the plating base, generating photoelectrons, which then propaga.
Observation of blood optical inhomogeneity using joint spectral and time domain OCT

In this paper we report that optical inhomogeneity of flowing fluid has influence on Doppler OCT measurement. Additional Doppler signal from scattering steady medium below blood vessels is visible. To investigate this phenomenon, the experiments with different scattering mediums and different well controlled experimental configurations were carried out. Imaging was performed using SOCT instrument with CCD camera, and joint Spectral and Time domain OCT method was used during data analysis.
The role of aquatic organisms in the management of river basins for sustainable utilisation

The paper considers the several beneficial (provision of drinking water, fish, waste assimilation) and detrimental (overabundant plant life, habitat for pathogens and disease vectors) roles of the aquatic biota in general, before describing the use of the biota in river management through biomonitoring. This is followed by a description of a biomonitoring method called SASS which is based on the aquatic macro-invertebrate community. Results of using SASS4 are presented and show that SASS4 scores vary following water quality. SASS4 results are less expensive than the chemical analysis of water samples and represent water quality variation over a period of time. SASS4 has a role to play in the monitoring and assessment of water quality. It can be used as a substitute for chemical analysis in broad scale monitoring and allow chemical resources to be focused on sampling points where there would appear to be real water quality problems. Since river quality (both chemical and biological) reflects the manner in which the basin is managed, SASS4 provides key information pertinent to the management of river basins. It is concluded that river assessment based on the aquatic biota has an essential role to play in the management of river basins for sustainable utilization.
DNA Stabilization and Hybridization Detection on Porous Silicon Surface by EIS and Total Reflection FT‐IR Spectroscopy

Electrochemically etched porous silicon (PSi) is formed and employed as a substrate for the entrapment of oligonucleotides and the subsequent development of stable DNA biosensors. The controlled potential anodic etching of p-type silicon wafers is optimized in order to obtain a surface layer with pore diameters which are close to those of the adsorbed DNA helix. The stabilization and hybridization of DNA inside the PSi layer is confirmed using ATR-FTIR. Moreover hybridization is verified by the large and reproducible impedance changes at the interface layer. The developed PSi DNA sensor paves the way for the label-free detection of oligonucleotide sequences in DNA microarrays and microfabricated PSi field-effect sensors.
Molecular design and synthesis of fluorescence PET (photo-induced electron transfer) sensors for detection of water in organic solvents

A series of anthracene–boronic acid ester OM-1, OM-2, OU-1, and OU-2 have been designed and synthesized as a new class of fluorescence PET (photo-induced electron transfer) sensors for detection and quantification of a trace amount of water in organic solvents. OM-1 and OM-2 have a boronic acid ester and bisboronic acid ester, respectively, located in the proximity of a tertiary amino group as an electron donor via a methylene spacer at the 9-position on the anthracene fluorophore. In OU-1, on the other hand, a boronic acid ester is directly connected to the 10-position of the anthracene fluorophore. OU-2 has bisboronic acid esters, which are located at the same positions as those of OM-1 and OU-1. It was found that OM-1 and OM-2 show enhancement of fluorescence with the increase in water content for various solvents (polar, less polar, protic and aprotic solvents), which can be attributed to the suppression of PET due to the formation of fluorescent ionic structures OM-1a or OM-2a by hydrolysis. For OU-1 and OU-2, on the other hand, there is no appreciable change in fluorescence intensity upon addition of water to the solution. We propose that a key point for creating a highly-sensitive fluorescence PET sensor for detection of a trace amount of water is to design molecular structures capable of forming a stable fluorescent ionic structure between the protonated tertiary amino group and the hydroxylated boronic acid ester by hydrolysis.
Glucosinolates, structures and analysis in food

Glucosinolates (GLS) are sulfur rich, anionic secondary metabolites found principally in the plant order Brassicales. This review focuses on identifying the range of GLS structures identified to date and summarises the current state of taxonomic reclassifications of GLS producing plants. Those Brassica species that are available to growers in the UK are highlighted and progress in the aspects of analytical chemistry relevant to conducting accurate determinations of GLS content of foods is reviewed. The degradation and derivatisation workflows that have been utilized for conducting “glucosinolate analysis” are summarized. A review is made of aspects of extraction, isolation, determination of purity, ultraviolet (UV) and mass spectrometry (MS) parameters, extinction coefficients, UV response factors, quantification procedures, and the availability of stable isotope labeled internal standards, and certified reference materials. An electronic database of structures, formulae and accurate masses of both the 200 known, and a further 180 predicted GLS, is provided for use in mass spectrometry.
Doping dependent NH3 sensing of indium oxide nanowires

NH3 gas sensing properties of In2O3 nanowires were carefully studied. Change of conductance in opposite directions was observed with different nanowire sensors. We suggest that this differential response is caused by various doping concentrations in the semiconducting In2O3 nanowires. In addition, we have also investigated a “gate-screening effect” exhibited in our nanowire chemical sensors at high NH3 concentrations, which is induced by adsorbed NH3 molecules working as charge traps. Both the doping-dependent response and the gate-screening effect will be especially valuable and helpful for understanding the detailed sensing mechanism of semiconducting metal oxide materials.
Inelastic neutron scattering studies of hydrogen bonding in ices

Using high resolution inelastic neutron scattering measurements of the phonon density of states of ice, two separate molecular optic bands at about 28 and 37 meV for ice Ih and ice Ic have been observed, which is the direct result of the very high flux of pulsed neutron source and excellent energy resolution of the inelastic instruments on ISIS at the Rutherford–Appleton Laboratory. In order to reproduce the measured phonon density of states, a new lattice dynamic model has been proposed that two interaction strengths among the H bonds in ice Ih (and ice Ic) associated with the proton configurations have to be assumed. These two force constants are randomly distributed in the network of ice, having a ratio of almost 1:2. This model is capable of reproducing almost every aspect of the measured spectra, the two molecular peaks in 28 and 37 meV in particular and may provide insight into the complex nature of H bonding in ice and water. The large differences in the force constants between the strong and weak .
Solvation in modified water models: towards understanding hydrophobic effects

The solvation of small hydrophobic solutes, modelled as hard spheres or Lennard-Jones particles, is characterized in several modified water liquids. In the hybrid family of liquids the SPC/E model is partially transformed to a Lennard-Jones liquid with the same number density. In this family, hydrophobic solutes become less soluble as the liquid structure becomes more close packed. In the bent family of models the network structure is altered by geometrical changes from SPC/E which increase the solubility of hydrophobic groups. Solvophobicity in the isotropic model, which has the same radial distribution function as SPC/E water by construction, is greater than in SPC/E water. This shows the importance of three-body correlations. In addition to excess chemical potentials, contact densities and the agreement with the Gaussian distributions predicted by information theory are investigated. Dielectric constants and surface tensions have been determined approximately and are used in the discussion of the results.
Temperature dependence of the threshold energy for atom displacement in irradiated molybdenum

The effective threshold energy for atom displacement is measured in molybdenum single crystals in a high-voltage electron microscope. Displacement is monitored at 70 K ≦ T ≦ 300 K by observing the nucleation of interstitial dislocation loops, and at 500 K ≦ T ≦ 800 K by measuring the growth rate of previously induced loops. By use of reference irradiations the results of both methods may be calibrated to allow comparison over the whole temperature range covered. At 70 K ≦ T ≦ 150 K the effective threshold energy for irradiation along a 〈100〉-direction is found to have a constant value of (34.5 ± 0.5) eV. Above this range the threshold energy decreases continuously with temperature to (26.5 ± 0.5) eV at 800 K. The role of subthreshold processes is discussed. It is found that such processes contribute little to the displacement cross section. The observed temperature dependence of the displacement threshold energy is explained in terms of the effect of thermal vibrations on the production of stable Frenkel pairs.
Freezing Tolerance Affected by Mineral Application during Cold‐Acclimated Conditions in Some Cool Crop Seedlings

Abstract The effect of mineral nutrient application on freezing tolerance in red cabbage, carrot, and spinach under cold‐acclimated and unacclimated conditions were evaluated in this study. Effects of nutrient‐solution application and cold acclimation on temperature at which 50% of leaves are injured (LT50), values, and ice nucleation activity in all of the plants were found to be statistically significant. Nutrient‐solution applications decreased LT50 values in all of the species under unacclimated and cold‐acclimated conditions. Freezing injuries in cold‐acclimated plants were significantly lower than in unacclimated plants in all of the nutrient application doses. In addition to this, 600–900 mg l−1 nutrient solutions also gave low plant injury in all conditions. Nutrient‐solution applications increased ice nucleation temperatures of apoplastic proteins, proline, and total chlorophyll contents in all of the plant species under unacclimated and cold‐acclimated conditions. Among the plant species, carrot was the most resistant plant to freezing injury under all nutrient application doses in the tested conditions.
Analysis of the switching process in triglycine sulphate crystals based on the Avrami model

By analysing switching current data i(t), produced by the reversal of domains, it was possible to extract detailed information concerning the behaviour of the switching kinetics in TGS crystals. The switching curves were fitted to a three-parameter nucleation and growth model based on Avrami statistical theory. By direct observation of the domain pattern during slow polarization reversal, by means of nematic liquid crystals, it was possible to verify the assumptions of the theory for crystal samples with both a spatially uniform and non-uniform distribution of domain nuclei.
Nitrate Content, N Metabolism and Ionome of Plant Foods: Soil-to-Plant Transfer of Chemical Species During Growth

vii RESUMO . ix TABLE OF CONTENTS . xiii LIST OF FIGURES . xix LIST OF TABLES . xxiii LIST OF ABBREVIATIONS . xxv LIST OF PUBLICATIONS . xxxi GENERAL SCOPE . xxxiii OBJECTIVES . xxxix THESIS ORGANIZATION . xl PART I: Theoretical background Chapter 1: Literature review about the influence of soil chemistry and plant physiology in the composition of plant foods 1.
Studies on Phosphonium Ylides, XXIV: Reactions of Phosphorus Ylides with 1,2,3,4-Tetrahydro1-Naphthylidene-Malononitrile

1,2,3,4-tetrahydro-1-naphthylidene-malononitrile (1) reacts with carbethoxymethylene and carbmethoxymethylene- triphenylphosphoranes (2a, 2b) to give the new phospho-ranylidenecyclopentaylidene products (4a, 4b, and 5), respectively. The treatment of (1) with phosphorus ylide 2c afforded the new phosphonium ylide 6. Moreover, the application of reagent (2d) on (1) renders compound 7. On the other hand, when N-phenyliminotriphenylphosphorane (3) reacts with (1), the corresponding adduct (8) was obtained together with triphenylphosphine. Mechanisms accounting for the formation of new products are discussed, and probable structures of products are presented based on analytical and spectroscopic data.
Fluoride pollution caused by a brickworks in the Flemish countryside of Belgium

A case of fluoride pollution involving injury to cattle, caused by a brickworks in the Flemish countryside of Belgium, is described. The results of a one‐year investigation, including a fluoride analysis of urine of all the animals grazing in the vicinity, are presented. Fluoride concentrations in the forage consumed and the different materials used and produced at the brickworks are also measured. The dental lesions studied are described with respect to the beginning and the evaluation of the fluoride injury.
Wafer Scale Synthesis and High Resolution Structural Characterization of Atomically Thin MoS2 Layers

Synthesis of atomically thin MoS2 layers and its derivatives with large‐area uniformity is an essential step to exploit the advanced properties of MoS2 for their possible applications in electronic and optoelectronic devices. In this work, a facile method is reported for the continuous synthesis of atomically thin MoS2 layers at wafer scale through thermolysis of a spin coated‐ammonium tetrathiomolybdate film. The thickness and surface morphology of the sheets are characterized by atomic force microscopy. The optical properties are studied by UV–Visible absorption, Raman and photoluminescence spectroscopies. The compositional analysis of the layers is done by X‐ray photoemission spectroscopy. The atomic structure and morphology of the grains in the polycrystalline MoS2 atomic layers are examined by high‐angle annular dark‐field scanning transmission electron microscopy. The electron mobilities of the sheets are evaluated using back‐gate field‐effect transistor configuration. The results indicate that this facile method is a promising approach to synthesize MoS2 thin films at the wafer scale and can also be applied to synthesis of WS2 and hybrid MoS2‐WS2 thin layers.
A gas-kinetic method for hyperbolic-elliptic equations and its application in two-phase fluid flow

A gas-kinetic method for the hyperbolic-elliptic equations is presented in this paper. In the mixed type system, the co-existence and the phase transition between liquid and gas are described by the van der Waals-type equation of state (EOS). Due to the unstable mechanism for a fluid in the elliptic region, interface between the liquid and gas can be kept sharp through the condensation and evaporation process to remove the ``averaged'''' numerical fluid away from the elliptic region, and the interface thickness depends on the numerical diffusion and stiffness of the phase change. A few examples are presented in this paper for both phase transition and multifluid interface problems.
The development of novel biocatalysts for the asymmetric hydroamination of alkenes

The research presented in this thesis describes the application of phenylalanine ammonia lyase from the bacteria Anabaena variabilis (AvPAL), as a biocatalyst for the asymmetric hydroamination of cinnamic acid derivatives. PALs from eukaryotic sources such as the plant Petroselinum crispum (PcPAL) and yeast Rhodotorula glutinis (RgPAL) have been widely used as biocatalysts for the synthesis of non-natural amino acids. For example the PAL catalyzed hydroamination of 2? -chlorocinnamic acid has been implemented by DSM Pharma Chemicals on a tonne scale. However, there are very few examples of prokaryotic PALs and to our knowledge their activity towards unnatural substrates has not been investigated. Herein we explore the activity of AvPAL towards a panel of cinnamic acid analogues. For comparison, the activity of the commonly studied eukaryotic PcPAL and RgPAL towards the same substrate panel was also investigated. Although the difference in substrate conversions between the three PALs was fairly unremarkable, a significant reduction in product e.e was observed following prolonged reaction times with all three PALs towards substrates bearing electron deficient aromatic rings. A time dependence on e.e. has not been previously reported for ammonia lyases and all previously described biotransformations have been reported to proceed with excellent e.e. in favour of the L-enantiomer. The mechanism leading to the formation of D-phenylalanine derivatives was explored through mutagenesis of key active site residues and isotopic labeling studies. The results obtained demonstrate that D-amino acid formation occurs via a previously unobserved competing MIO-independent pathway which proceeds in a non-stereoselective manner. In addition, the observations are consistent with amino acid deamination occurring via a stepwise E1cB elimination mechanism. In order to develop a more general biocatalytic method for asymmetric hydroamination reactions, the activity of PAL towards substrates lacking the carboxylic acid functionality was investigated. The synthesis of a panel of substrates and subsequent screening with AvPAL and RgPAL is described. Unfortunately, the wild-type enzymes demonstrated no activity towards any of the substrates screened. These enzymes were also screened for their promiscuity towards the nucleophilic amine partner and although deamination activity towards N-methyl-L-phenylalanine was observed, no hydroamination activity was detected using primary amines as nucleophiles. In order to broaden the substrate specificity of PAL enzymes, a number of screening methods have been developed. Herein we present both liquid phase and colony based colorimetric screens for the detection of PAL catalyzed hydroamination activity. Furthermore these screens have been used to screen libraries of variants for increased D-selectivity and hydroamination activity towards ? -methylstyrene and cinnamyl alcohol derivatives.
What can we make of our interview data? From interdisciplinary to intra-disciplinary research

Introduction. This paper considers materially enriched interview data through practice lenses and explores how performativity in practices is accentuated in the data. Particular emphasis is placed on the kinds of knowledge that are justified by the data. Method and analysis. The paper distinguishes between element-based and post-humanist practice lenses. The distinction is exemplified by an analysis of two interview abstracts from a study on literature searching among interdisciplinary scholars. Results. Depending on the lenses applied, materially enriched interviews produce different epistemic objects, enabling different kinds of research results. The element-based lenses are attuned to practices as ordered products, indicating that interviews re-enact practices. The data justifies knowledge about dynamics inter disciplines or inter scholars. A post-humanist lens views practices as a mode of ordering, where interviews (and the data produced) become a part of an intra-disciplinary becoming through the intra-acting of human and non-human agencies alike. Conclusions. The element-based lenses indicate that interviews inform about performances happening in situ elsewhere, whereas the post-humanist lens views the interviewing researcher as part of practices-in-their-making. This entails a shift from a concern about researcher reflexivity and valid representations, towards an awareness of researchers’ responsibilities in the joint performance of the phenomenon studied.
Sensor de umidade microeletronico baseado em capacitor com dieletrico higroscopico

Este trabalho mostra o desenvolvimento, fabricacao e caracterizacao de um sensor de umidade microeletronico, baseado em um capacitor com dieletrico higroscopico. O dieletrico higroscopico foi obtido atraves da deposicao via LPCVD em reator vertical. Imagens AFM mostraram que esta tecnica de deposicao permitiu que a morfologia do filme fosse otimizada para seu emprego como material higroscopico. Um circuito conversor baseado na tecnica do capacitor chaveado foi implementado para converter a variacao da capacitância, do sensor de umidade, em variacao de tensao. Resultados experimentais indicaram uma sensibilidade maxima de 23.3mV/%RH para RH variando de 15%RH ate 70%RH Abstract