Miracle-dz/UniFAR-FTUs huggingface dataset:
Ionic mobility in stuffed-silica minerals

Using a combination of dielectric spectroscopy and atomistic computer simulation techniques, the dynamical behaviour of loosely bound cations in the stuffed-silica minerals nepheline, yoshiokaite and s-eucryptite has been investigated. The investigation has been extended to include the feldspar minerals albite, K-feldspar and anorthite. The low-frequency dielectric properties of all of the minerals have been investigated from room temperature to 1100 K. At each temperature, the dielectric constant, conductivity and dielectric loss were determined over a range of frequencies from 100 Hz to 10 MHz. At high temperatures distinct Debye-type relaxation processes were observed, from which activation energies were determined for each system studied. In order to rationalise these data, in the context of actual ionic mobility mechanisms, atomistic simulation. - techniques were used to elucidate the mechanisms and energetics of cation migration. Good correlation between experimentally determined and calculated energy barriers has been demonstrated. The results obtained from computer modelling confirm the nature of the processes responsible for the observed dielectric behaviour. Furthermore, they reveal the importance of framework relaxation effects in the facilitation of ion migration within a structure. This study demonstrates that short-range ionic mobility in framework silicates can be described using conventional (Debye-type) activated "hopping" models. A detailed interpretation of the mechanism of these processes has been possible by a combination of dielectric spectroscopy and computer modelling techniques. By applying the methods used here to a variety of mineral systems, it should be possible to develop a comprehensive body of transferable data relating structural aspects of framework minerals to the systematic prediction of ion migration mechanisms and energetics.
STUDI PENGARUH JENIS DAN KOMPOSISI KATALIS PADA PROSES PERTUMBUHAN CARBON NANOTUBE (CNT) DENGAN METODE CATALYTIC CHEMICAL VAPOUR DEPOSITION (CCVD)

Abstract Carbon nanotube is one of the nanotechnology that applicated in a variety of science such as electronics, chemistry and etc. In this research staked with system Catalytic Chemical Vapour Deposition (CCVD) process to syntheses Carbon nanotubes from acetylene gas using Co/Al 2 O 3 and Fe/Al 2 O 3 catalysts with catalyst heavy 0,3 gram,operation temperature 700 o C, flow rate rasio of N 2 and acetylene gas is 1 : 1. From analysis result by Scanning Electron Microscopy (SEM), CNT was formed MWNT type with difference diameter, where in order to larger active component concentration resultant diameter of CNT larger. Whereas product severe sintheses result turn inside out collating with active component. The larger of active component, product weight syntheses result smaller. For Fe/Al 2 O 3 catalyst was given CNT diameter larger compared with CNT syntheses used Co/Al 2 O 3 . catalysts.
Prediction of Infinite Dilution Activity Coefficients of Organic Compounds in Ionic Liquids Using COSMO-RS†

COSMO-RS, a general and fast method for the prediction of thermophysical data of liquids, is used for the calculation of activity coefficients at infinite dilution for 38 compounds in the ionic liquids 1-methyl-3-ethylimidazolium bis((trifluoromethyl)sulfonyl)imide, 1,2-dimethyl-3-ethylimidazolium bis((trifluoromethyl)sulfonyl)imide, and 4-methyl-N-butylpyridinium tetrafluoroborate. Calculated values for (314 and 344) K are presented and compared with experimental data.
Effect of free chlorine oxidation on the deposition kinetics of bacteriophage MS2 on a silica surface

Title of Document: EFFECT OF FREE CHLORINE OXIDATION ON THE DEPOSITION KINETICS OF BACTERIOPHAGE MS2 ON A SILICA SURFACE Heungkook Noriomoral Stephens, Master of Science, 2015 Directed By: Professor Baoxia Mi, Department of Civil and Environmental Engineering Understanding the transport kinetics of water contaminates such as pathogenic viruses around solid surfaces is important in controlling groundwater contaminant plumes and optimizing contaminant removal in sand filtration units. The effect of increasing oxidative stress, in the form of small doses of free chlorine, on the deposition behavior of bacteriophage MS2 onto a silica surface was examined using a quartz crystal microbalance with dissipation (QCM-D). MS2 deposition rates were analyzed by reaction time and inactivation level. A statistically significant increase in the deposition rate was identified between MS2 test solutions not exposed to free chlorine and most test solutions that were exposed. However, as exposure to free chlorine was increased, no relationship was able to be deduced from the collected deposition data. Potential explanations based on previous work were discussed. Observations also indicated that more comprehensive purification procedures in comparison to previous studies were necessary to obtain accurate QCM-D data. EFFECT OF FREE CHLORINE OXIDATION ON THE DEPOSITION KINETICS OF BACTERIOPHAGE MS2 ON A SILICA SURFACE
The effects of clouds on aerosol and chemical species production and distribution: 2. Chemistry model description and sensitivity analysis

Abstract A modeling study of the effects of clouds on the evolution and redistribution of aerosol particles in the troposphere is presented. A two-mode, two-moment aerosol evolution model is coupled with a two-dimensional, mixed-phase, two-moment microphysics, Eulerian cloud model and a sulfate cloud chemistry model. The coupled model is used to simulate evolution of a convective cloud with different assumptions about the initial chemical and aerosol fields. In the simulations, SO2 is convectively transported to the mid- to upper troposphere, where it is oxidized to gas-phase H2SO4. After cloud processing, cloud condensation nuclei (CCN) particles are removed by precipitation and graupel to form a CCN-depleted region above cloud top and in the cold and humidified cloud outflow region. These conditions are favorable for binary homogeneous nucleation of ultrafine sulfuric acid particles to take place. The new particle formation in the mid- and upper troposphere interacts with cloud processing and transport .
Bioactive emulsions of o‐carboxyphenyl methacrylate copolymers

o-Carboxyphenyl methacrylate was synthesized and in solution polymerized as well as copolymerized with methyl methacrylate and styrene. Stable aqueous suspensions of the copolymers were obtained. Films of the copolymers show considerable biological activity and reduce the development of bacteria and mildew. o-Carboxyphenylmethacrylat wurde synthetisiert und in Losung polymerisiert sowie mit Methylmethacrylat und Styren copolymerisiert. Dabei wurden stabile wasrige Suspensionen der Copolymere erhalten. Daraus hergestellte Filme weisen eine betrachtliche biologische Aktivitat auf und hemmen die Entwicklung von Bakterien und Schimmelpilzen.
Soluble Epoxide Hydrolase Inhibitory Constituents from Selaginella tamariscina

A novel norneolignan, tamariscinol T (1), and six known compounds, protocatechuic acid (2), vanillic acid (3), caffeic acid (4), amentoflavone (5), 2,3-dihydroamentoflavone (6), and 2″,3″-dihydroamentoflavone (7), were isolated from Selaginella tamariscina. Their structures were elucidated using 1D/2D NMR, high-resolution electrospray ionization mass spectrometry (HR-ESI-MS), and infrared (IR), ultraviolet (UV), and circular dichroism (CD) spectroscopy. The effects of the isolated compounds on soluble epoxide hydrolase (sEH) activity were then evaluated. Compounds 5–7 potently inhibited sEH activity with IC50 values of 24.3 ± 1.6, 5.4 ± 0.1, and 11.9 ± 0.1 μM, respectively. In addition, analysis of the kinetics of compounds 5–7 revealed that their inhibitory actions were noncompetitive, with inhibition constants (Ki) of 24.4 ± 1.2, 8.6 ± 0.4, and 5.3 ± 0.6 μM, respectively.
Phospholipid Bilayers: Physical Principles and Models

Bilayer Properties Self-Assembly Lipid Hydration Surface Electrostatics Hydrated Surfaces in Ionic Solutions Solute - Bilayer Interactions, Binding and Transport Interbilayer Forces, Aggregation and Fusion Bilayer Phase Transitions Chain Rotational Isomerism Bilayer Models Fluid Phase Elasticity Lateral Phase Separation Non-Bilayer Phases Index.
Evaluation of The Differential Growth Conditions, Heavy Metal Composition And Cytogenetics of Allium cepa By The Use of Chromosome Aberration Bioassay.

Comparative study of the suitability of onion bulbs grown in different environmental conditions for the Allium cepa bioassay was undertaken using the chromosome aberration test. Onion bulbs were obtained from Gombe, Kano, Maiduguri, and Sokoto. Cadmium, nickel, selenium, and lead were not detected in Gombe onions. Kano and Maiduguri contained high levels of lead (0.30±0.01 and 0.20±0.01 mg/l) and nickel (0.30±0.01 and 0.30±0.01 mg/l) respectively. The highest zinc and selenium contents were detected in Maiduguri onions (7.40±0.01 and 0.40±0.01 mg/l respectively). Results of cytological studies using the aceto-orcein squash technique showed that Gombe onions had the highest mitotic index while Kano had the least. In the same vein, Gombe onions had the lowest percentage aberrant cells, while Kano had the highest. The mean root lengths of the onion bulbs grown in tap water at 96 h were of the increasing order: Gombe>Sokoto>Maiduguri>Kano. The results of the Allium test indicate Gombe onions were the best and most suitable for A. cepa bioassay as they were relatively free from heavy metal contamination. The findings also show that health risks could be caused to the unsuspecting public by the daily intake of heavy metals through the contaminated vegetables with heavy metals.
The evolution of testicular sperm extraction and preservation techniques

Along with the advent of intracytoplasmic sperm injection in 1992, sperm retrieval procedures now allow the possibility of conception from male sterility. In cases of sterility due to blockages in the reproductive tract, sperm retrieval procedures are relatively straightforward and reliable. In nonobstructive azoospermia or testis failure, sperm often can be difficult to retrieve. For this reason, the field of testicular sperm retrieval has witnessed tremendous change and innovation to achieve higher sperm yields, increasing efficiency and safety, along with fewer complications. We review the history and evolution of testicular sperm retrieval since its inception. Using the findings from randomized controlled trials, basic science studies, meta-analyses, case-controlled or cohort studies, best-practice policies, and literature reviews, we outline the concepts, facts, and principles that have been elucidated over several decades of experience with sperm retrieval. We also appraise the merits and issues of the most popular sperm retrieval techniques and strategies. Finally, we define areas of future clinical and laboratory development that will further refine the field of testicular sperm retrieval.
Raman and fluorescence investigations on retrieved Biolox® delta femoral heads

Since the introduction of ceramic-on-ceramic couplings in total hip arthroplasty, continuous efforts have been performed to improve the performance of the prosthetic components. To expand the applications of ceramics, in 2000 an innovative alumina–zirconia composite was introduced in the market. The present study represents the first investigation aimed at characterising at the molecular level Biolox® delta retrievals implanted between 1999 and 2009. Fluorescence and Raman results showed that a progressive improvement of the material properties has occurred in the period between 1999 and 2009. Raman spectroscopy showed that wear was the main cause of the in vivo tetragonal-to-monoclinic zirconia transformation. Our findings validated the in vitro accelerated ageing protocols proposed in the literature to simulate the effects of the in vivo wear, because the mechanism operating in vivo was found to be the same active in vitro. The in vitro fracture of a new femoral head appeared to be an extreme wear condition that determined the most significant changes in the residual stress state and monoclinic content both in the section of the fragments and on their surface. The micro-Raman mapping of the fractured articulating surface showed that the tetragonal-to-monoclinic transformation involved a region much more extended than as reported in the literature. Copyright © 2012 John Wiley & Sons, Ltd.
Physico-chemical characteristics of Morinda citrifolia fruit during growth and maturation.

The physico-chemical changes of Morinda citrifolia fruit during growth and maturation were studied. The fruit took 15-16 weeks after fruit set to reach full maturity. Changes in skin colour began from the 12th week after fruit set. At this stage, the colour changed rapidly from light green to 60% yellowish-green, and finally to yellowish-white at full maturity. The fruits remained firm throughout the growth period, but softened suddenly at the 16th week. The moisture content was higher in the mature fruit. The titratable acidity and total soluble solid increased significantly (p -0.05) as the fruit ripened. The fruit were rich in potassium throughout the growth period. They had substantial amounts of vitamin A, with the highest content at 11th and 12th weeks after fruit set. The ascorbic acid content was stabilized from the ninth week onwards, until the amount increased significantly (p -0.05) at the 14th and 15th week after fruit set. The fruit contain essential vitamins and minerals at all stages of development. The levels of minerals such as Na, Ca, Fe, P, Mg and Zn were fluctuated during the growth period.
Anti-oxidant activity of methanolic extract of Ficus religiosa linn bark by using DPPH ((1, 1-Diphenyl-2-Picrylhydrazyl)

Ficus religiosa is also called as Peepal belongs to family Moraceae, is potentially distributed in india-sub Himalaya,bihar, Orissa, and west Bengal. The tree is found wild or cultivated nearly thought India is considered to be one of the world's most invasive tree and has the potential to spread across central India and upper genetic plain.The medicinal values of plant lie in their component phytochemical such as sterols, terpenoid, coumarins, tannins, and other nutrients like as amino acid, proteins, which produce a definite physiological action on the human body. The present study is aimed an Antioxidant activity of methanolic extracts by using DPPH (1,1-diphenyl-2-picrylhydrazyl) DPPH assay is based on the measurement of the scavenging ability of antioxidant towards the stable DPPH radical. DPPH is a stable free radical at room temperature and accepts an electron or hydrogen radical to become a stable diamagnetic molecule.The reduction capability of the DPPH radical is determined by the decrease in its absorbance at 517 nm, induced by antioxidants.The absorption maximum of a stable DPPH radical in methanol was at 517 nm.
Minimizing the effect of undesirable reactions in ECF bleaching

Abstract One undesirable reaction during ECF bleaching is the formation of resistant quinones during the oxidation of lignin phenolic rings by ClO2. Occurrence of this side reaction was confirmed by the implementation of a new in situ method for quinone detection. It is based on the selective reaction of free-phenol groups in pulp with ClO2 at low temperature (0°C) and on the reduction of quinones into free phenols by sodium dithionite. Although not absolutely quantitative, it gives valuable information on the quinone content without any need of lignin extraction. It is proposed to apply a hydrogen peroxide treatment after each ClO2 (D) stage to solve this problem. Another undesirable reaction is the consumption of ClO2 by the muconic acid type structures which are the primary oxidation products of lignin during a D stage. Experiments with Z,Z-2, 5-dimethyl muconic acid, a model for lignin oxidized units, indicated that this reaction is most probable. Although phenolic moieties in lignin are more reactive than the muconic acid structures, the use of high ClO2 charges respective to lignin may favour its consumption by the muconic acid structures. One solution to this problem is to apply lower charges of ClO2 in each D treatment. The relevance of these findings was demonstrated by the high efficiency of (DEP)(DEP) sequences, where DEP stands for a ClO2 stage at low charge of chlorine dioxide immediately followed by an alkaline hydrogen peroxide treatment.
Chloro­tris(2-methyl-2-phenyl­propyl)­tin(IV) at 150 K

The structure of the title compound, [SnCl(C10H13)3], (I), was originally determined at room temperature and published without atomic coordinates by Schomburg, Link, Linoh & Tacke [J. Organomet. Chem. (1988), 339, 69–80]. We report here the structural determination at 150 K. The cell dimension shows a contraction from 22.5251 (8) to 22.3858 (4) A, as expected.
Effect of Ocean Acidification on Bacterial Metabolic Activity and Community Composition in Oligotrophic Oceans, Inferred From Short-Term Bioassays

Increasing anthropogenic CO2 emissions in recent decades cause ocean acidification (OA), affecting carbon cycling in oceans by regulating eco-physiological processes of plankton. Heterotrophic bacteria play an important role in carbon cycling in oceans. However, the effect of OA on bacteria in oceans, especially in oligotrophic regions, was not well understood. In our study, the response of bacterial metabolic activity and community composition to OA was assessed by determining bacterial production, respiration, and community composition at the low-pCO2 (400 ppm) and high-pCO2 (800 ppm) treatments over the short term at two oligotrophic stations in the northern South China Sea. Bacterial production decreased significantly by 17.1–37.1 % in response to OA, since bacteria with high nucleic acid content preferentially were repressed by OA, which was less abundant under high-pCO2 treatment. Correspondingly, shifts in bacterial community composition occurred in response to OA, with a high fraction of the small-sized bacteria and high bacterial species diversity in a high-pCO2 scenario at K11. Bacterial respiration responded to OA differently at both stations, most likely attributed to different physiological responses of the bacterial community to OA. OA mitigated bacterial growth efficiency, and consequently, a larger fraction of DOC entering microbial loops was transferred to CO2.
Development of a field speciation method for inorganic arsenic species in groundwater

This research describes the development of a dual preservation and field speciation technique for the arsenic species arsenite [As(III)] and arsenate [As(V)] using ion exchange field speciation of a sample preserved with EDTA and acetic acid. The new method is compared with existing speciation methods and is shown to be simple, robust, free of hazardous chemicals, and capable of recovering >90% of As(III) and As(V) despite possible interference from ferrous iron in the sample. The method was further refined through testing on 20 drinking water wells in five states. Results indicated that As(III) measured by field speciation agreed with subsequent lab speciation (conducted two to four days later) on the preserved sample with a correlation coefficient of R2 = 0.997.
Taking Risks as a Feature of Creativity in the Teaching and Learning of Design and Technology

This a r ti c le co n s id ers t h e n a tur e o f ri s k t a kin g a n d its deter min a nt s in re l a t i o n t o te ac hin g and learning d es i gn an d t ec hn o l ogy in secondar y sc h oo l s. It i s in fo rm e d b y r esea r c h i nt o the contr ibuti o n th a t c r ea ti v it y m a k es to de s i g n a nd techno l ogy educat i on , inc lud i n g an analysi s of t h e r is k s th at teac h ers a nd st ud e nt s take w hen w orking wi th i n a d oma in . D e si g n activ i t y can requ ir e a c r eat i ve l e ap t o rea l ise a c c ep t a bl e so lu t i o n s , w hi c h a r e va lu e d b y c l ients a nd c u sto m e r s. T hi s p ro cess in v ol v e s t a king risks w i t h t he u se o f m a t er i a l s, with the deve l o pm e n t of p rocesses a nd w ith tho s e p e op l e w h o fu nd dev el o pm e n t wo rk a nd clients . In des i gn an d t ec h no l ogy e du cat i o n t h e risks are d i fferent . L ega l res p o n s ibilit ies for products that st ud e n ts c r ea t e are l i mited i n relation to t h e i r ef f ec ti ve n ess. Ri sks t a k e n b y te a ch e r s a re ma inl y gove rn ed b y t h e n eed f o r student s to a ch i eve success in t h e i r l ear
Octopus Motor Control-Oxford Research Encyclopedia of Neuroscience

The octopus, with its eight long and flexible arms, is an excellent example of the indepen­ dent evolution of highly efficient motor behavior in a soft-bodied animal. Studies will be summarized to show that the amazing behavioral motor abilities of the octopus are achieved through a special embodied organization of its flexible body, unusual morpholo­ gy, and a unique central and peripheral distribution of its extremely large nervous sys­ tem. This special embodied organization of brain–body–environment reciprocal interac­ tions makes it possible to overcome the difficulties involved in generation and control of movement in an animal, which unlike vertebrates and arthropods lacks rigid skeletal ap­ pendages.
Development of artificial metalloenzymes via covalent modification of proteins

A method for the site-selective introduction of phosphane-ligands in protein hosts has been developed. Initially, carboxylic acid functionalized phosphanes were coupled to proteins, but the chemoselectivity proved to be low for most proteins. Borane protected maleimido-phosphanes were synthesised and coupled siteselective to proteins. Unexpectedly, borane deprotection was not achievable under conditions compatible with proteins in solution. An alternative approach reported here consists of covalent coupling of 3-(maleimido)propionic acid hydrazide to the thiol group of a cysteine residue of a protein, followed by coupling of aldehyde functionalized phosphanes to the hydrazide group via a hydrazone linkage. This method constitutes a valuable tool for the development of phosphane-containing artificial metalloenzymes.
E-GOVERNMENT IN BULGARIA – STRATEGIC OBJECTIVES FOR DEVELOPMENT AND RESULTS FROM IMPLEMENTATION OF PROJECTS

The development of e-Government is the main priority in the strategic documents of the Republic of Bulgaria during the programme period 2014-2020. The projects financed under Operational Programme “Good Governance” are of key significance both for the attainment of the strategic objectives and of the expected results input in them. The purpose of the publication is to analyse the conformity between the strategic documents and the projects implemented in the sphere of e-Government in the country. A desk analysis, an empirical analysis and other scientific methods are applied for the attainment of the purpose in the research. Problems in their development are identified as a result of the analysis of the current projects and alternatives are proposed for their elimination. Perspectives are outlined for the future development of the e-Government in Bulgaria in conclusion.
Preliminary Report on the Total Mercury Content of Patagonian Toothfish (Dissostichos eleginoides)

Abstract Primary data on mercury content in Patagonian toothfish (Dissostichos eleginoides) revealed that low to relatively high contents of this metal are present in the flesh. Values ranging between 0.12 and 0.73 mg kg−1were found in 18 specimens analysed. These figures are in accordance to the feeding habits and long life of this fish. Mercury being a naturally occurring contaminant, and taking into account the values obtained for the mercury content, it is suggested that Patagonian toothfish be included in the Mercury Monitoring Programmes in other countries.