Miracle-dz/UniFAR-FTUs huggingface dataset:
Coated Semiconductor Nanoparticles: The CdS/PbS System's Photoluminescence Properties

The photoluminescence (PL) spectra from colloidal solution of coated semiconductor CdS/PbS nanoparticles, which are synthesized by a cation-exchanging colloidal method, are measured at room temperature. The PL spectra from S vacancies (V{sub s}) and Cd-S composite vacancies (V{sub Cd-S}) in CdS and CdS/PbS nanoparticles have been investigated. The PL of V{sub S} can be quenched only by the Pb caption modified in the surface of CdS. The PL of V{sub Cd-S} in CdS nanoparticles appears in about 1100 nm. The PL of V{sub Cd-S} in CdS/PbS nanoparticles shifts to longer wavelengths as the quantity of PbS increases. The shift and intensity variation of the PL peak from V{sub Cd-S} in CdS/PbS can be explained by a quantum confinement model of coated nanoparticles; the excited energy gap (HOMO-LUMO) is not only dependent on the size of the particles but also strongly dependent on the core/shell ratio of the coated nanoparticles. The PL energy gap (LUMO-V{sub Cd-S}) is also strongly dependent on the core/shell ratio. 36 refs., 5 figs., 1 tab.
Quantitative approach to conformations of proteins

A quantitative conformational theory of proteins is developed that enables one to predict the native structure of a protein from its amino acid sequence. The theory is based on the following principles: (1) the spatial structure and conformational properties of a protein are predetermined by its amino acid sequence; (2) the native conformation of a protein corresponds to the free energy minimum; (3) all interactions within a protein molecule are specified as short-, mediumy-, and long-range types, interactions of different types being consistent with each other. The role of the short-, medium-, and long-range interactions in the spatial organization of a protein globule is discussed, and a step-by-step analysis of amino acid sequences with gradually increasing lengths is presented. The proposed theory is based on a semiempirical computational method that involves quantitative evaluation of all pairwise atomic interactions within a protein molecule in an aqueous medium. Examples illustrating the suggested approach are presented.
Hierarchical architecture and real structure in a biomimetic nano-composite of fluorapatite with gelatine: a model system for steps in dentino- and osteogenesis?

The morphogenesis of hierarchically ordered, spherical aggregates of fluorapatite–gelatine-nanocomposites starts with elongated hexagonal prismatic seeds, followed by fractal branchings and the development of growing dumbbell states. The general principles of this dramatic process of self-organisation are not yet known but should be laid out already in the real structure of the central seed (P. Simon, W. Carrillo-Cabrera, P. Formanek, C. Gobel, D. Geiger, R. Ramlau, H. Tlatlik, J. Buder and R. Kniep, J. Mater. Chem., 2004, 14, 2218, ). Here we describe the structure and inner architecture of the fluorapatite composite seeds which consist of self-similar nano-subunits nucleated by gelatine macromelecules. Although grown without any cell activities, the biomimetic composite closely resembles natural biomaterials based on interactions between collagen and apatite.
A method to eliminate explosion hazards in auger highwall mining

The US Bureau of Mines investigated a method of using inert gas to prevent the formation of explosive gas mixtures in auger highwall mining of coal. A combination of gasoline and diesel engine exhaust gases was introduced into auger drill hole using a short section of pipe located at the collar. Gas samples were taken and analyzed on-site with infrared detectors for oxygen, carbon dioxide, methane, and carbon monoxide. Evacuated bottle samples were also taken and analyzed by gas chromatography in the laboratory. These gas results were analyzed for explosibility. Coal samples from various depths were used to obtain the gas content of the coal using the modified direct method. Personal exposure to carbon monoxide was also monitored. The highest methane level observed was 9.55%. The levels of inert gas (carbon dioxide and nitrogen) were sufficiently high to prevent any ignition of the methane. Results showed that for all conditions during mining, gas concentrations were nonexplosive. The gas content of the coal was about 0.30 cm[sup 3]/g. The maximum personal time-weighted average sample for carbon monoxide was 20 ppm. This system provides a safe, inexpensive, simple method for preventing explosions during auger mining.
Can we predict the formability of perovskite oxynitrides from tolerance and octahedral factors

Perovskite oxynitrides AB(O,N)3 represent an emerging class of materials suitable for applications in the fields of clean energy and environmental protection. Nitrogen substitution for oxygen allows for a significant enrichment of possible perovskite structures for combinations of cations that are not achievable in perovskite oxides. A model that utilizes the tolerance and octahedral factors is developed for assessing the formability of the perovskite structure in oxynitrides and for predicting new perovskite oxynitrides that have not been synthesized so far. Our model considers the alteration of the interatomic distances and cationic radii in oxynitrides when compared to those in oxides and nitrides. In the first step we identify the stability field of the perovskite structure in oxynitrides from the crystal structure data for perovskite oxynitrides synthesized so far. In the next step we address the formability of the perovskite structure for compositions not studied yet. For instance, we predict that among potentially piezoelectric oxynitrides, YSiO2N and YGeO2N are not stable in the perovskite-type structure; YZrO2N and YSnO2N are in turn formable, whereas for possible candidate of photocatalytic oxynitrides according to DFT calculations MgTaO2N is not formable in perovskite structure; YTiO2N, CdTaO2N and CdNbO2N appear to be feasible. Moreover, we predict the formability of perovskite structures for Zn2+, Cd2+, Y3+, Hf4+, Fe4+and Sn4+, as well as Pr3+, Nd3+, and Sm3+ oxynitrides. As none of these compounds has been yet synthesized, our model can be applied for designing and guiding the synthesis of novel perovskite structures in oxynitrides.
Removal of 2,4,6-Trichlorophenol by Iron and Manganese Oxides / Granular Activated Carbon with H2O2

Iron and manganese oxides/granular activated carbon composite (GACFM) was prepared via a chemical coprecipitation route, followed by a heat treatment at elevated temperature. The as–prepared GACFM was characterized by X-ray diffraction (XRD) and infrared spectroscopy (FTIR). The main iron and manganese oxides actually present in the composites were mainly composed of Fe3O4 ,Mn3O4 and (FeO)x(MnO)1-x. The adsorption and catalytic properties of GACFM and some conditions effects such as H2O2, pH , temperature and CO32- were studied for the removal of 2,4,6-trichlorophenol (TCP) from aqueous medium. The adsorption of TCP on GACFM obeyed the Freundlich isotherms. When the initial concentration of H2O2 was 0.4mg/L , 5mg/L TCP removal rate was maximum on the GACFM. The treatment of TCP could be carried out at initial pH under 7.0. CO32- can scavenge •OH in solution and decreased TCP removal. In the whole, GACFM was satisfactory absorbent and catalyst for the removal of chlorophenol from water.
Degradable natural polymer hydrogels for articular cartilage tissue engineering

Articular cartilage has poor ability to heal once damaged. Tissue engineering with scaffolds of polymer hydrogels is promising for cartilage regeneration and repair. Polymer hydrogels composed of highly hydrated crosslinked networks mimic the collagen networks of the cartilage extracellular matrix and thus are employed as inserts at cartilage defects not only to temporarily relieve the pain but also to support chondrocyte proliferation and neocartilage regeneration. The biocompatibility, biofunctionality, mechanical properties, and degradation of the polymer hydrogels are the most important parameters for hydrogel-based cartilage tissue engineering. Degradable biopolymers with natural origin have been widely used as biomaterials for tissue engineering because of their outstanding biocompatibility, low immunological response, low cytotoxicity, and excellent capability to promote cell adhesion, proliferation, and regeneration of new tissues. This review covers several important natural proteins (collagen, gelatin, fibroin, and fibrin) and polysaccharides (chitosan, hyaluronan, alginate and agarose) widely used as hydrogels for articular cartilage tissue engineering. The mechanical properties, structures, modification, and structure–performance relationship of these hydrogels are discussed since the chemical structures and physical properties dictate the in vivo performance and applications of polymer hydrogels for articular cartilage regeneration and repair. © 2012 Society of Chemical Industry
Thermally stimulated electric changes during the helix to coil transition of irradiated DNA

The purpose of the present work was to investigate early changes evolved in the DNA macromolecule during its helix to coil phase transition following exposure to ionizing radiation. This phase transition measures the thermostability of this macromolecule and it is greatly affected by exposure to ionizing radiations apparently due to induced single strand and double strand breaks on either or the two coils of the double DNA helix. Our results indicate that conductivity changes definitely preceding the helix to coil transition. This observation is on line with the suggested precedence of hydrophobic bonds disruption prior to hydrogen bonds disruption which coincides with this type of phase transition that finally leads to the denaturation of the DNA.
Tailoring of Water-Soluble Cellulose-g-Copolymers in Homogeneous Medium using Single-Electron Transfer Living Radical Polymerization

Cellulose-graft-polyacrylamide and cellulose-graft-poly(N,N-dimethylacrylamide) copolymers were prepared by single-electron-transfer living radical polymerization (SET-LRP) in homogeneous medium. Cellulose macroinitiators for SET-LRP, with different numbers of initiating sites along the cellulose backbone, were successfully synthesized by direct acylation of cellulose with 2-bromoisobutyryl bromide in LiCl/dimethylacetamide. Dynamic light scattering revealed that cellulose macroinitiator molecules in dimethylsulfoxide (DMSO) exist primarily as individual chains with a certain amount of intermolecular aggregates. SET-LRP of acrylamide and N,N-dimethylacrylamide with the cellulose macroinitiators was carried out in DMSO solution. Formation of cellulose-graft-copolymers was confirmed using attenuated total reflectance Fourier transform infrared, 1H NMR and 13C NMR spectroscopy, and the products were water-soluble. High content of poly(N,N-dimethylacrylamide) in the copolymers enhanced the thermal stability relative to that of cellulose. Scanning electron microscopy studies of cellulose-based particles formed from the copolymers using the aerosol flow reactor method revealed spherical nanoscale structures. Copyright © 2011 Society of Chemical Industry
Utilization of Biosolids as a Fertilizer for Canola

A two-year study was conducted to determine the crop yield and nutrient uptake in canola and elemental levels in soils amended with biosolids applied at four rates for seven years. The biosolids application rates of 0, 1.9, 5.8, and 11.7 Mg ha−1 (dry basis) were based on providing the following amounts of total N (in kg N ha−1): 0 (control), 57 (low), 170 (medium), and 340 (high). After second year harvest, soil samples were collected from 0-15 and 15-45 cm depths and analyzed for total and water-extractable essential (N, Ca, Mg, K, P, S, B, Mn, Zn, and Cu) and nonessential elements (Cd, Cr, Co, and Ni), pH and electrical conductivity (EC). Generally, biosolids application significantly increased the concentrations of total and water extractable essential elements at the 0-15 cm depth, whereas concentrations of total and water extractable nonessential elements (Cd, Cr, Co, and Ni) were only detected at trace levels for both depths. There was a significant increase in soil EC and soil organic matter content with biosolids application at the 0-15 cm depth. Biosolids treatments significantly increased the total dry matter yields 1.5 to 3.8 times above that of the control and increased concentrations of most essential elements in canola leaves. The overall results suggest that amending sandy loam soils with biosolids of the tested quality can increase yield and forage quality of canola leaves with negligible increases in nonessential trace element concentrations in soil and/or in leaves.
Potential Starter Culture Isolated from Traditionally Fermented YangJiang Lobster Sauce and Protease Characteristics Research

The purpose of this study was to isolate strains from traditionally fermented Yangjiang lobster sauce, those can use as potential starter culture for the pure fermentation under controlled conditions of temperature and pH. The result was found that seven strains isolated by PDA medium, and then they were evaluated for production of protease on skim milk agar. Especially three strains, which Rhizopus oryzae, Aspergillus oryzae and Pichia burtonii exhibited high proteolytic activities with area of clear zone. Seven strains identified by morphological and phylogenetic analysis, which studies based on the 16S, 18S ribosomal gene sequences and 26S rDNA D1 / D2 sequence, showed that two pathogens strains survived in traditional Yangjiang lobster sauce. The research investigated effects of pH and temperature on activity and stability of protease, effect of metal ions and NaCl on protease activity in three high proteolytic activity strains.
Standardization of Methods for Fluence (UV Dose) Determination in Bench-Scale UV Experiments

Ultraviolet (UV) disinfection is now an accepted technology for inactivation of a variety of waterborne pathogens in wastewater and drinking water. However, the techniques used in much of the previous research aimed at providing information on UV effectiveness have not yet been standardized. Thus in many peer reviewed published literature, it is not clear how the UV irradiations were carried out, nor how the average \Ifluence\N (or UV dose) given to the microorganisms has been determined. A detailed protocol for the determination of the fluence (UV dose) in a bench scale UV apparatus containing UV lamps emitting either monochromatic or broadband UV light was developed. This protocol includes specifications for the construction of a bench scale UV testing apparatus, methods for determination of the average irradiance in the water, details on UV radiometry, and considerations for microbiological testing. Use of this protocol will aid in standardization of bench scale UV testing and provide increased confidence in data generated during such testing.
Ozone Treatment Efficiency in Aspergillus and Penicillium Growth Inhibition and Mycotoxin Degradation of Stored Wheat Grains (Triticum aestivum L.)

The efficacy of ozone (O3) gas treatment to inhibit the strains growth of Aspergillus flavus and Penicillium citrinum and of aflatoxin and citrinin (CTR) to degrade in wheat grains were evaluated. The tests were performed in laboratory pilot silos containing grains artificially contaminated by these fungi or mycotoxins. Briefly, the samples were divided into control groups (no O3 gas) and O3-treated groups (40 and 60 μmol/mol), which were exposed for 30, 60, 120 and 180 min. In the highest concentration of O3 exposure (60 μmol/mol), A. flavus and P. citrinum showed complete growth inhibition after 180 min. In addition, regarding the same O3 exposure, the AFB1 and AFB2 levels were significantly reduced (12.51 and 41.06 μg/kg) when compared with control (231.88 and 265.79 μg/kg). Moreover, the CTR levels were significantly decreased after O3 treatment in both concentrations (40 and 60 μmol/mol) after 180 min of O3 exposure (103.64 and 42.90 μg/kg) when compared with control group (146.85 and 173.51 μg/kg). Practical Applications The Aspergillus flavus and Penicillium citrinum strains have been found in stored wheat grains. These fungi can be responsible for aflatoxins and citrinin formation under specific temperature and humidity storage conditions. In order to overcome this problem, ozone has been studied in laboratory scale to control fungal growth. It is possible to say that this is an attractive practice and is effective for the food industry because it decomposes to molecular oxygen without leaving residues, and furthermore is considered safe by the U.S. Food and Drug Administration.
Improved transport properties of graphene/GaN junctions in GaN-based vertical light emitting diodes by acid doping

Electrical characteristics of p-, n-GaN/graphene junctions before and after nitric acid doping have been investigated. Acid treatment can significantly improve the junction conductance in both cases, which is advantageous for the light emitting diode (LED) to reduce the operating voltage. GaN-based vertical LEDs incorporating graphene as transparent electrodes are further assembled and tested, showing significant improvement in forward electrical characteristics and light output power upon acid modification.
Evaluation of ultraviolet–photocatalytic oxidation of light alcohols at sub-parts per million concentrations

Ultraviolet photocatalytic oxidation can be a promising technology as it has shown great potential in improving indoor air quality while concurrently providing an energy-efficient solution for application in the heating, ventilating, and air-conditioning systems. At this time, there are some concerns regarding possible formation of toxic by-products from photocatalytic oxidation reactions that undermine the application of this technology in non-industrial buildings. This article reports the outcome of an experimental study on the evaluation of photocatalytic oxidation reactions of light alcoholic volatile organic compounds with nano TiO2 catalysts at different indoor air conditions. The removal efficiencies of tested individual volatile organic compounds and their by-products were compared at three different parts per billion-level challenge concentrations. Acetaldehyde and formaldehyde were identified as primary by-products, and no significant catalyst deactivation was found during the experiment. The reaction pathways and the selectivity of the reactions were investigated at different relative humidity levels. It is concluded that the humidity had dual effects on the oxidation rate in the case where the degradation rate of the compound under study was relatively higher under low relative humidity levels.
Functional properties of surimi powder from three Malaysian marine fish

Summary Lizardfish (Saurida tumbil), threadfin bream (Nemipterus japonicus) and purple-spotted bigeye (Priacanthus tayenus) surimi were freeze-dried to produce surimi powder. The resulting surimi powder contained 72.8‐73.4% protein and 16.8‐17.5% carbohydrate. Functional properties such as solubility, gelation capacity, water-holding capacity (WHC), emulsification, foaming properties and colour varied from species to species. The surimi powder formed gels and produced about 90% emulsification at a concentration of 1.0%. Threadfin bream was found to be the best source for surimi powder production, followed by purple-spotted bigeye and lizardfish, respectively.
Synthesis of Bismuth Sodium Titanate Nanosized Powders by Solution/Sol–Gel Process

(Bi 1/2 Na 1/2 )TiO 3 (BNT) is a prominent candidate for a lead-free piezoelectric material. In this study, BNT was synthesized using the solution/sol-gel method, in which a solution of Bi 2 O 3 and Na 2 CO 3 was dissolved in HNO 3 as starting materials. The solution then was mixed with ethylene glycol and titanium tetraisopropoxide. The obtained BNT powder was analyzed using FT-IR, DTA-TG, Raman spectroscopy, and high-temperature XRD. Results showed that BNT crystallization occurred above 600°C. TEM investigation showed that 100-200 nm BNT particles were formed by heat-treating the sol-gel-derived BNT sol at 700°C for 6 h.
Oswald Ripening of Facetted Self‐Assembled PbSe Quantum Dots during Annealing

The thermal stability of facetted self-assembled PbSe quantum dots during annealing is investigated. With increasing annealing time the dot density is found to decrease rapidly with a simultaneous increase of the average dot volume. This behavior is well described by Oswald ripening under interface reaction limited mass transfer conditions. Therefore, the islands formed during growth do not represent an equilibrium structure.
Isotherm Models for Predicting the Dye Adsorption Potential of Coon Tail (Ceratophyllum Demersum) and Water Milfoil (Myriophyllum Spicatum)

The dye adsorption potential and characteristics of the submerged aquatic plants Ceratophyllum demersum and Myriophyllum spicatum were investigated using an azo dye (Basic Blue 41 – BB41). Adsorption equilibria were attained after 160 min at various initial BB41 concentrations (in the range 5–80 mg/l). Attempts were made to fit the equilibrium data obtained using the Langmuir, Freundlich, Redlich–Peterson, Temkin and Dubinin–Radushkevich adsorption isotherm models. The data obtained from the C. demersum and M. spicatum studies were fitted exactly by the Redlich–Peterson and Temkin adsorption isotherms models with correlation coefficient (r) values of 0.999 and 0.981, respectively. The fits of the Langmuir and Freundlich adsorption isotherm models were also acceptable. Evaluation of the experimental data using the Langmuir equation revealed that the maximum adsorption capacities of C. demersum and M. spicatum were 50.0 mg/g and 64.9 mg/g, respectively.
Polly NET : a global network of automated Raman-polarization lidars for continuous aerosol profiling

H. Baars, T. Kanitz, R. Engelmann, D. Althausen, B. Heese, M. Komppula, J. Preißler, M. Tesche, A. Ansmann, U. Wandinger, J.-H. Lim, J. Y. Ahn, I. S. Stachlewska, V. Amiridis, E. Marinou, P. Seifert, J. Hofer, A. Skupin, F. Schneider, S. Bohlmann, A. Foth, S. Bley, A. Pfüller, E. Giannakaki, H. Lihavainen, Y. Viisanen, R. K. Hooda, S. Pereira, D. Bortoli, F. Wagner, I. Mattis, L. Janicka, K. M. Markowicz, P. Achtert, P. Artaxo, T. Pauliquevis, R. A. F. Souza, V. P. Sharma, P. G. van Zyl, J. P. Beukes, J. Y. Sun, E. G. Rohwer, R. Deng, R. E. Mamouri, and F. Zamorano Leibniz Institute for Tropospheric Research, Permoserstraße 15, 04318 Leipzig, Germany Finnish Meteorological Institute, Kuopio, Finland Finnish Meteorological Institute, Helsinki, Finland Évora University, Institute for Earth Sciences, Évora, Portugal National Institute of Environmental Research, Incheon, Republic of Korea Institute of Geophysics, Faculty of Physics, University of Warsaw, Warsaw, Poland