Miracle-dz/UniFAR-FTUs huggingface dataset:
The Utility of Droplet Elimination by Thermal Annealing Technique for Fabrication of GaN/AlGaN Terahertz Quantum Cascade Structure by Radio Frequency Molecular Beam Epitaxy

We investigated the utility of a droplet elimination by thermal annealing (DETA) technique during the radio-frequency molecular beam epitaxy growth of a quantum cascade laser (QCL) structure. DETA is a method in which droplets deposited on the surface are eliminated by temporarily increasing the substrate temperature. DETA is a useful method which makes it possible not only to increase the number of periods in the QC structure, but also to improve the surface and structural properties of the QC structure. We could successfully increase the radiant intensity from a QCL sample by increasing the number of periods in the stacked QC structure with the DETA method.
Effects of Temperature and Concentration on Surface Tension of Poly(N-isopropylacrylamide) Solutions

The Wilhelmy plate technique was used to measure the dynamic surface tension of poly(N-isopropylacrylamide)(poly(NIPAM)) at the air−water interface as a function of poly(NIPAM) concentration and temperature. Initial periods of a negligible decrease of the dynamic surface tension were observed at the lowest concentration of poly(NIPAM). The decay rate of the surface tension was well interpreted by taking account of the solution properties of poly(NIPAM) under the assumption of diffusion-controlled adsorption kinetics. The experimental data were numerically fitted with an empirical Hua−Rosen equation, and they were in good agreement with each other. Furthermore, the ellipsometric results were compared with those for the poly(NIPAM) monolayer spread at the air−water interface from its aqueous solution.
Changes in diffuse reflectance intensity and autofluorescence for brain tissue in rats during loss of tissue viability

To investigate the correlation between light scattering and tissue viability of brains, we performed measurements of multiwavelength diffuse reflectance and autofluorescence for brains during loss of tissue viability. As a model temporally losing tissue viability of brain, a perfused brain in a rat was used. Diffuse reflectance at 620 nm, which is an isosbestic point of cytochrome oxidase (cyt. ox.), showed that a triphasic, drastic change in light scattering occurred 220 - 300 s after starting perfusion. After this event, light scattering stayed at a higher level than that before this event. We observed a different behavior between the reflectance at 620 nm and that at 605 nm, showing that the tissue absorption at 605 nm was increasing. This is attributable to the reduction of heme a+a3 in cyt. ox. , which preceded the triphasic change in light scattering. An important difference was also found between the reflectance at 620 nm and that at 800 nm, indicating that the absorption decrease at 800 nm presumably due to the reduction of copper A in cyt. ox. coincided with the triphasic change in light scattering; the reduction of copper A in cyt. ox. indicates the decrease in ATP production. Change in fluorescence of NADH did not correlate either with change in light scattering or with the reduction of cytochrome oxidase. These findings suggest that light scattering is useful as an indicator of brain tissue viability.
Rhizosphere pH Profile of Rice Plant Influenced by Al Treatment

To study the mechanisms of Al tolerance in rice, we focused on the change of rhizosphere pH. The 4-d seedlings were treated with Al solution (0, 10, 50 mM) for 24 h. Then each sample was put on an agarose gel including bromocresol green, so that the color of the gel indicated pH change. During 2-h contact, the pH of rhizosphere was decreased gradually, especially for Al-treated samples, showing the specific pH profiles along the root axis. Pretreatment of sample plants with a decoupling reagent 2,4-dinitrophenol (DNP) or a plasma membrane H+-ATPase inhibitor Na3VO4 did not decrease rhizosphere pH. Therefore, it was suggested that the H+ secretion activity was involved with Al-tolerant mechanisms of rice.
Flow‐through analysis of Al in seawater by fluorometric detection with the use of lumogallion

A flow-through analytical method has been developed for the determination of trace amounts of aluminum in seawater with the use of Lumogallion fluorometric detection. Because iron was selectively removed by passing the sample through an 8-quinolinol immobilized chelating resin column (MAF-8HQ), this method could be applied to samples collected at the hydrothermal oceanic regime. Several known organic complexing agents were studied as a model group to examine the effect of naturally occurring organic ligands on the detection of aluminum in seawater. The detection limit was 0.17 nM for 10 ml of sample. The standard deviation was 2.7% at 2 nM of aluminum. This method permitted the sensitive, precise, and rapid determination of subnanomolar Al in seawater without contamination onboard ship. © 2000 John Wiley & Sons, Inc. Field Analyt Chem Technol 4: 274–282, 2000
Protein interaction property similarity analysis

We describe how similarity indices may be applied to semiquantitatively compare the molecular interaction fields, such as electrostatic and hydrophobic potentials, of proteins. We then review ways in which this approach has been used to investigate protein interaction properties in diverse applications ranging from in-depth comparison of pairs of proteins to large-scale analysis of hundreds of modeled protein structures. © 2001 John Wiley & Sons, Inc. Int J Quant Chem 83: 122–127, 2001
Spectroscopic Definition of the Geometric and Electronic Structure of the Non-Heme Iron Active Site in Iron(II) Bleomycin: Correlation with Oxygen Reactivity

The geometric and electronic structure of high-spin ferrous complexes of bleomycin (Fe{sup II}BLM) and the structural analog PMAH ([Fe{sup II}PMA]{sup +}, where PMAH is a macrocyclic ligand with pyrimidine, imidazole, deprotonated amide, and secondary and primary amine functionalities) have been investigated by optical (Abs) and X-ray (XAS) absorption, magnetic circular dichroism (MCD), and resonance Raman (rR) spectroscopies. The lability of high-spin iron combined with steric constraints of the BLM ligand framework and its weaker axial interaction with solvent support a dissociative mechanism for O{sub 2} reactivity. Our spectroscopic studies of solid [Fe{sup II}PMA]{sup +} have defined the nature of such a five-coordinate intermediate as square pyramidal which provides an open coordination position for reaction with O{sub 2}. A major electronic structure difference between Fe{sup II}BLM (and [Fe{sup II}PMA]{sup +}) and other non-heme ferrous sites is the presence of low-energy CT transitions which reflect strong iron(II) {yields} pyrimidine backbonding. Despite generally being considered a non-heme iron system due to the absence of an extensive delocalized {pi} network, the existence of low-energy MLCT transitions with reasonable intensity, hence the presence of some backbonding, identifies BLM as an important link bridging the chemistry of non-heme and heme active sites. 113 refs., 17 figs.,more » 4 tabs. « less
Perfluorinated phenols as extraction agents for Cs+ and Sr2+

Abstract The extraction efficiency of some perfluorinated phenols for the removal of Cs+ and Sr2+ from aqueous solutions is reported. The perfluorinated phenols C6F5OH and 2,3,5,6-C6F4HOH have been shown to extract 90Sr2+ or Cs+ from aqueous solutions into a 100:1 mixture of toluene and pyridine in reasonable efficiencies, using radio-tracer and ICP-OES techniques. Additionally uranium, 59Fe3+ {as a model for Pu(IV)} and Eu3+ {as a model for Am(III)} were investigated, with only iron not being successfully extracted.
PROCHECK: a program to check the stereochemical quality of protein structures

The PROCHECK suite of programs provides a detailed check on the stereochemistry of a protein structure. Its outputs comprise a number of plots in PostScript format and a comprehensive residue-by-residue listing. These give an assessment of the overall quality of the structure as compared with well refined structures of the same resolution and also highlight regions that may need further investigation. The PROCHECK programs are useful for assessing the quality not only of protein structures in the process of being solved but also of existing structures and of those being modelled on known structures.
Microphysical modelling of aerosols in the ORAC retrieval

This thesis describes an investigation of, and improvements to, the microphysical modelling of aerosols in the Oxford-Rutherford Appleton Laboratory Aerosol and Clouds retrieval (ORAC), which is used to obtain aerosol properties from measurements by the Advanced Along Track Scanning Radiometer (AATSR). Modelling decisions determine the light scattering properties of the aerosol classes which in turn alter the retrieved aerosol properties: aerosol optical depth, and effective radius. The maritime, mineral dust, urban, and biomass burning aerosol classes were first investigated, and then improvements implemented. Major additions to the scheme include the ability to model non-spherical dust as spheroids, soot as fractal aggregates, and to coat spherical particles with an extra layer of differing refractive index (whose thickness can be modified by ambient relative humidity where necessary). Output from aerosol retrievals containing these new models is presented. Modelling of marine aerosol was found to be adequate, but an improvement in the relative humidity assumptions led to an average 5 % increase in aerosol optical depth (AOD). Modelling of mineral dust aerosols has been dramatically altered by the addition of non-spherical dust and hygroscopic particles, leading to increases in measured AOD of over 100 % during dust events, compared to the previous model. Measurement of biomass burning aerosol has been tested with an `ageing' aerosol scheme, leading to increases in over-land measured AOD of 0.14 (~50 % increase). With such significant changes in AOD, representation of aerosol light scattering properties is seen to be important factor in the accuracy of the ORAC scheme. Finally, a method of optimising the placement of detectors in an aerosol measurement device is presented.
Degradation by Hydrogen Peroxide of Metal-Nitrogen-Carbon Catalysts for Oxygen Reduction

Fe-N-C and Co-N-C materials are promising catalysts for reducing oxygen in fuel cells. The degradation of such catalysts induced by H2O2 was investigated by contacting them ex situ with various amounts of H2O2. The degradation increased with increasing amounts of H2O2. The effect was most severe for Cr-N-C followed by Fe-N-C and last by Co-N-C. Treatment with H2O2 leads to diminished oxygen reduction activity at high potential and/or reduced transport properties at high current density in fuel cell. From spectroscopic characterization, it was found that 66 and 80% of the CoNxCy and FeNxCy moieties present in pristine catalysts survived the extensive H2O2 treatment, respectively. In parallel, the activity for oxygen reduction was divided by ca 6–10 for Fe-N-C and by ca 3 for Co-N-C. The results suggest that the main degradation mechanism in fuel cell for such catalysts is due to a chemical reaction with H2O2 that is generated during operation. The super-proportional decrease of the oxygen reduction activity with loss of FeNxCy and CoNxCy moieties suggests either that only a small fraction of such moieties are initially located on the top surface, or that their turnover frequency for oxygen reduction was drastically reduced due to surface oxidation by H2O2. © The Author(s) 2015. Published by ECS. This is an open access article distributed under the terms of the Creative Commons Attribution Non-Commercial No Derivatives 4.0 License (CC BY-NC-ND, http://creativecommons.org/licenses/by-nc-nd/4.0/), which permits non-commercial reuse, distribution, and reproduction in any medium, provided the original work is not changed in any way and is properly cited. For permission for commercial reuse, please email: oa@electrochem.org. [DOI: 10.1149/2.1091506jes] All rights reserved.
Self-Assembled Monolayers on Oxidized Metals. 2. Gold Surface Oxidative Pretreatment, Monolayer Properties, and Depression Formation

Self-assembly (SA) of organic monolayers onto gold surfaces has been known to be influenced by the surface conditions prior to monolayer adsorption. A new procedure is introduced for obtaining clean, reproducible Au surfaces, appropriate for monolayer self-assembly. The two-step procedure involves (i) exposure of the Au surface to UV/ozone (or O2 plasma) treatment and (ii) immersion in pure ethanol. The organic contaminants present on the (aged) gold surface are oxidized in the first step to volatile products such as carbon dioxide and water, followed by the second step where gold oxide, formed on the Au surface during the UV/ozone treatment, is reduced (to Au) by reaction of the oxidized gold with ethanol (the most frequently used solvent for SA of alkanethiols). It is shown by scanning force microscopy (SFM) measurements that gold oxide which is not reduced prior to monolayer SA is encapsulated by the closely packed alkanethiol monolayer adsorbed onto the gold oxide. This enables convenient imaging of t.
Environmental Organic Chemistry

Preface. Part I: Introduction. 1. General Topic and Overview. 2. An Introduction to Environmental Organic Chemicals. Part II: Equilibrium Partitioning Between Gaseous, Liquid, and Solid Phases. 3. Partitioning: Molecular Interactions and Thermodynamics. 4. Vapor Pressure. 5. Activity Coefficient and Solubility in Water. 6. Air-Organic Solvent and Air-Water Partitioning. 7. Organic Liquid-Water Partitioning. 8. Organic Acids and Bases: Acidity Constant and Partitioning Behavior. 9. Sorption I: General Introduction and Sorption Processes Involving Organic Matter. 10. Sorption II: Partitioning to Living Media - Bioaccumulation and Baseline Toxicity. 11. Sorption III: Sorption Processes Involving Inorganic Surfaces. Part III: Transformation Processes. 12. Thermodynamics and Kinetics of Transformation Reactions. 13. Chemical Transformations I: Hydrolysis and Reactions Involving Other Nucleophilic Species. 14. Chemical Transformations II: Redox Reactions. 15. Direct Photolysis. 16. Indirect Photolysis: Reactions with Photooxidants in Natural Waters and in the Atmosphere. 17. Biological Transformations. Part IV: Modeling Tools: Transport and Reaction. 18. Transport by Random Motion. 19. Transport Through Boundaries. 20. Air-Water Exchange. 21. Box Models. 22. Models in Space and Time. Part V: Environmental Systems and Case Studies. 23. Ponds, Lakes, and Oceans. 24. Rivers. 25. Groundwater. Appendix. Bibliography. Index (Subject Index, Compound Index, List of Illustrative Examples).
A novel hybrid nanostructure based on SiO2@carbon nanotube coaxial nanocable

We present a simple, generally applicable procedure for obtaining diameter-controlled SiO2@ carbon nanotubes (CNTs) coaxial nanocables. These coaxial nanocables with high solubility in polar solvents, have been used as functional templates for assembling CNTs/Au nanorods heterogeneous nanostructures to form multifunctional assembly system. These hybrid nanostructures may find applications in nanoelectronics, photonics, and nanodevices.
LOSSES IN WHEAT GRAIN YIELD DUE TO LEAF RUST, CAUSED BY Puccinia triticina Eriks

This work was carried out at Gemmeiza Agriculture Research Station during 2010/11 and 2011/12 growing seasons, to study losses in grain yield of five susceptible wheat cultivars i.e. Gemmeiza 7, Gemmeiza 10, Gemmeiza 11,Sakha 93 and Sakha 94, to leaf rust caused by Puccinia triticina Eriks under field conditions. Artificial inoculation was performed using a mixture of urediospores and talcum powder (1/20) ,in addition to treated plots of the same cultivars with fungicide (Sumieight 5Ec) served as a protected control . Disease severity was recorded each 10 days and area under disease progress curve( AUDPC ) were estimated . The tested cultivars exhibited different disease severity, 5-80%. High values of area under disease progress curve( AUDPC ) were detected on Gemmeiza-7 , Sakha-93 ( 1225 ,925). Whereas the lowest values of yield loss were recorded on cvs. Gemmeiza 11 and Gemmeiza 10 that mean these two cultivars were tolerant to leaf rust infection under field conditions. Correlation and regression coefficions were tested between yield losses and values of AUDPC of the tested cultivars.
First-principles calculations of conductance within a plane wave basis set via non-orthogonal Wannier-type atomic orbitals

We present a plane-wave/pseudopotential implementation of a method to calculate the electron transport properties of nanostructures. The conductance is calculated via the Landauer formula within the formalism of Green’s functions. Non-orthogonal Wannier-type atomic orbitals are obtained by sequential unitary rotations of virtual and occupied Kohn–Sham orbitals, followed by two-step variational localization. We use these non-orthogonal Wannier-type atomic orbitals to partition the Kohn–Sham Hamiltonian into electrode–contact–electrode submatrices. The electrode parts of the system are modelled by two metal clusters with additional Lorentzian broadening of discrete energy levels. We examined our implementation by modelling the transport properties of Na atomic wires. Our results indicate that with the appropriate level broadening the small cluster model for contacts reproduces odd–even oscillations of the conductance as a function of the nanowire length.
The passage of an ion through a synthetic ion channel

The simulated system consisted of a fatty acid bilayer membrane dividing two electrolyte layers each containing ions, and a channel composed of linked 15-crown-5 ether rings. The Na+ and F− ions in the aqueous electrolyte layers were too large to enter the channel, but the Li+ ions entered and were transported. Conditions that optimised the passive, electric-field-induced transport of Li+ ions through the channel were investigated. It was calculated and rationalised that the higher the numerical value of the electrostatic charge on the oxygen atoms of the crown ether rings, the more easily does the channel convey the Li+ ions.
The Antimicrobial Effect of Lactoferrin on Gram-Negative and Gram-Positive Bacteria

Background: Lactoferrin is a multipurpose protein of the transferrin domestic. It is a spherical glycoprotein with a molecular weight of about 80 kDa which is widely found in secretory discharges, such as milk, saliva, tear, and nasal secretions. Lactoferrin is also found in secondary granules of polymorphonuclear leukocytes (PMN) and is released by some acinar cells. It also shows antibacterial activity in vitro. The antimicrobial activity of lactoferrin is due to its ability to bind to iron and make it unavailable to bacteria. Lactoferrin is a major component of the immune system; antibacterial activity is an important component of the innate immunity of the body. Objectives: The purpose of this study was to evaluate the effect of lactoferrin on two different species of Gram-negative and Gram-positive bacteria. Materials and Methods: The purity of lactoferrin was assessed by sodium dodecyl sulfate polyacrylamide gel electrophoresis (SDS-PAGE). Gram-positive and Gram-negative bacteria were collected from different clinical specimens such as wound, blood, secretions, urine, stool, and sputum from Namazi Hospital of Shiraz. The colony counting assays were conducted according to the Clinical and Laboratory Standards Institute (CLSI) and American Society for Testing and Materials (ASTM) G22-76 guidelines. Results: The results showed lactoferrin to be effective on both Gram-positive ( Staphylococcus epidermidis, Bacillus cereus) and Gram-negative (Campylobacter jejuni, Salmonella) bacteria. However, it was more effective on the Gram-positive rather than the Gram-negative bacteria. Conclusions: Lactoferrin is able to bind to iron as one of its important features. It plays an important role in signal transduction and is anticancer, anti-adhesion, immune-modulatory, and antiviral. Regarding the increase of resistance to antibiotics, it is necessary to explore novel antimicrobial drugs.
Single-molecule dynamics at variable temperatures

Single-molecule optics has evolved from a specialized variety of optical spectroscopy at low temperatures into a versatile tool to address questions in physics, chemistry, biology, and materials science. In this thesis, the potential of single-molecule (and ensemble) optical microscopy at variable temperatures is demonstrated: Electron transfer has been identified as a crucial step in the photodynamics of organic fluorophores, and long-term memory effects have been discovered in the relaxation dynamics of supercooled glycerol. Additionally, a novel technique, temperature-cycle microscopy of single-molecule dynamics, has been developed. This method aims to increase the observation time in single-molecule experiments at room temperature. The necessary rapid temperature cycles by laser-induced local heating inside a cryostat have been characterized and calibrated.
A simulation for liquid surfactant membrane permeation in a continuous countercurrent column.

The continuous permeation of metal ions in a countercurrent column was simulated in order to develop a continuous separation process with the liquid surfactant membrane technique. In the simulation, an axial dispersion model was applied for a continuous phase. For the permeation of metal ion in a dispersed phase, an approximate model was adopted in which the external diffusion around the dispersed phase, the diffusion through a peripheral thin oil layer in the dispersed phase and the extraction reaction at the interface between the continuous and dispersed phases were taken into account. The observed concentration distributions of metal ions in the column reported by Marr et al. were satisfactorily simulated by the models applied and by use of the conventional relations for liquid-liquid extraction.
Attitudes Towards The Inclusion Of Pupils With Disabilities In Zambian Primary Schools, And Their Implications

I was motivated to undertake this research by concerns that arose from my professional and personal experiences of marginalisation from the education system. I was concerned that students with disabilities were not being offered equality of access to the mainstream curriculum despite public expression of support for inclusion by the Zambian government. This study investigates teachers' attitudes towards inclusive education in Zambia in two primary schools which already have some experience of inclusion. The research was carried out using both questionnaires and interviews. The findings indicate an overall very positive view among teachers of the rights of all children, including those with disabilities, to education. Almost all teachers accepted the principle that: "all pupils should be educated in general education classrooms" and "education is a fundamental right for all children including those with disabilities". However, when it came to practice, there was division between teachers with and without experience. Teachers without experience were positive to inclusion of these children with disabilities, while teachers with experience were negative to inclusion of children with hearing and visual impairments. Respondents commented that major barriers to education for all children, particularly for those with disabilities, include a lack of resources, teachers and legislation to support inclusion. There is also some evidence that traditional attitudes to children with disabilities in Zambia may militate against their inclusion into mainstream schools.