Miracle-dz/UniFAR-FTUs huggingface dataset:
Single-crystal X-ray diffraction at megabar pressures and temperatures of thousands of degrees

The most reliable information about crystal structures and their response to changes in pressure and temperature is obtained from single-crystal diffraction experiments. We have developed a methodology to perform single-crystal X-ray diffraction experiments in laser-heated diamond anvil cells and demonstrate that structural refinements and accurate measurements of the thermal equation of state of metals, oxides and silicates from single-crystal intensity data are possible in pressures ranging up to megabars and temperatures of thousands of degrees. A new methodology was applied to solve the in situ high pressure, high temperature structure of iron oxide and study structural variations of iron and aluminum bearing silicate perovskite at conditions of the Earth's lower mantle.
High-Performance Liquid Chromatographic Determination of Cefalexin Monohydrate and Kanamycin Monosulfate with Precolumn Derivatization

A liquid chromatographic method for the determination of cefalexin monohydrate and kanamycin monosulfate in their synthetic binary mixture was developed and validated according to ICH guidelines. Cefalexin monohydrate and kanamycin monosulfate both contain primary amine and were derivatized with phenylisocyanate in presence of triethylamine at 70°C for 10 min forming corresponding N-aryl-N′-phenyl urea derivative. The separation was achieved on Phenomenex column, C18, 250 × 4.6 mm, 5 µm under isocratic conditions, using acetonitrile: 1% tris buffer (40:60 v/v) pH adjusted to 6.5 with 1 N sulfuric acid, as a mobile phase and flow rate was 1.0 mL/min. The retention times were 3.7 and 8.5 min for cefalexin monohydrate and kanamycin monosulfate, respectively, at 242 nm. The linear concentration range was 7.5–22.5 µg/mL for cefalexin monohydrate and 5–15 µg/mL for kanamycin monosulfate. The mean percentage recoveries for binary mixture were found to be 93.33–99.11 for cefalexin monohydrate and 92–98 for kanamycin monosulfate. The pooled % RSD value for validation parameters for both the methods was less than 2. The results of method confirm that this high-performance liquid chromatographic method can be applicable, for quality control and assay of bulk and binary synthetic mixture.
Determination of Dissociation Constants of Resverastrol and Polydatin by Capillary Zone Electrophoresis

Abstract A method to determine the dissociation constants of resverastrol and polydatin by capillary zone electrophoresis was developed. First, resverastrol and polydatin have to be baseline separated to measure their effective electrophoretic mobilities accurately. Second, the first order dissociation constants of resverastrol and polydatin, which are 9.49 and 9.40, can be obtained from the non‐linear regression between their effective electrophoretic mobilities and the H+ activities of the running buffer. The correlation coefficients of the non‐linear regression are 0.9956 and 0.9982, respectively. The reliability of the method is validated by the result of the hydroquinone of which the first order dissociation constant is known.
Data Hiding In Contourlet Coefficients Based On Their Energy

: The data hiding is one of the most important subject in field of computer science, so a lot of technique was developed and modified to satisfy the optimum lend of hiding. In this research the contourlet transformation coefficients were studied to decide which of them are suitable to embed data on it a lot of parameters of the contourlet coefficients can be discussed one of them is the coefficient energy.The research covered most of the suggested events which could be met during the embedding state, one of them the size of the cover in addition to the size of the information were studied. Applying the suggested idea on different type of image with different size (cover image and the message image) shows that the coefficients with low level of energy are suitable to embedded the information, and the retrieved cover and message are so closed to the original one.
Large scale continuous synthesis of carbon-encapsulated magnetic nanoparticles

Fe, Fe3C and NdC2 nanoparticles, encapsulated within carbon cages, were continuously produced during the induction thermal plasma processing of Fe14Nd2B, in the presence of methane or acetylene. The product morphology was studied by means of SEM. Further structural details were obtained from TEM, HRTEM, Raman spectroscopy and x-ray powder diffraction studies. The so-produced nanostructures have core–shell structure, with inner cavity diameters varying between 10 and 30 nm. The carbon coatings were composed of between 5 and 25 graphene layers. The carbon cages were built from sp2 carbon atoms, which protected the encapsulated nanoparticles from both oxidation and agglomeration. The plasma generated products were ferromagnetic, with maximum values of coercivity field of 600 G s, and saturation magnetization values of up to 40 emu g−1.
Determination of Vitamin E in Coffee Beans by HPLC Using a Micro-extraction Method

This work reports a solid—liquid micro-extraction method for vitamin E quantification in coffee beans (before and after roasting) with normal-phase HPLC/diode-array/fluorescence detection. The compounds were extracted after protein precipitation and overnight maceration (4°C) in n-hexane, in the presence of butylated hydroxytoluene, using tocol as internal standard. The extraction method precision was inferior to 5% with mean recoveries near 100%. Chromatographic resolution from co-eluting interferences was achieved within 8 min with a 75 × 3.0 mm (3 μm) silica column by using an isocratic elution with n-hexane/ 1,4-dioxane (98 : 2), at a flow rate of 0.7 mL/min. The diode-array detector was a valuable tool in the detection of co-eluting interferences and quantification was based on the fluorescence measurements. Only two vitamers, a- and b-tocopherol, were confirmed and quantified, being the latter generally the major compound in both arabica and robusta coffees. The present analytical method proved to be simple, sensitive, reproducible, accurate, allowing a fast quantification with low organic solvent consumption.
Cellulose nanocrystals and related nanocomposites: Review of some properties and challenges

Cellulosic nanoparticles with high Young's modu- lus, crystallinity, specific surface area, and aspect ratio can be found in the natural structure of plant fibers. Indeed, lignocel- lulosic fibers consist of semicrystalline cellulose nanofibrils embedded in an amorphous matrix mainly composed of lignin and hemicelluloses. These nanostructures give the mechanical strength to higher plant cells, and are biodegradable, renew- able, resistant, and widely available to produce nanocompo- sites with low density, and improved and controlled mechanical, optical, and barrier properties. Nanoparticles can be extracted from cellulose using a top-down mechanically or chemically assisted deconstructing strategy, and owing to their highly reactive surface ensuing nanomaterials can be chemi- cally modified to tailor their properties for a wide range of applications. This review is limited to cellulose chemically extracted nanocrystals and aims to provide an overview about several aspects that involve this material, including sources, properties, challenges, and perspectives. V C 2014 Wiley Periodi- cals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2014, 00, 000-000
Effect of Au Doping and Defects on the Conductivity of Single-Walled Carbon Nanotube Transparent Conducting Network Films

We examined the electrical conductivity and transmittance of six types of SWNT network films, developed for potential use in transparent conductive films, to investigate the effect of Au doping on single-walled carbon nanotube (SWNT) defects: (i) SWNT network films without Au doping (as-produced (AP-SWNTs), purified (P-SWNTs), and cut (C-SWNTs)) and (ii) Au-doped films of AP-SWNTs (Au/AP SWNTs), P-SWNTs (Au/P-SWNTs), and C-SWNTs (Au/C-SWNTs). The density of SWNT network films was varied systematically by controlling the SWNT concentration and mediating defect formation. The electrical conductivity of each SWNT film was found to be significantly enhanced upon Au doping, with a negligible loss of optical transmittance. The effects of Au doping differed depending on the type of nanotube network present: the electrical conductivity of Au/C-SWNTs was found to be similar to that of Au/AP-SWNTs for a given transmittance, whereas the conductivity of C-SWNTs is much lower than that of the AP-SWNTs prior to Au dopi.
Estimating sorption rates of hydrophobic organic compounds in iron oxide- and aluminosilicate clay-coated aquifer sands

We hypothesized that retarded diffusion in coatings controls the rate of sorption of hydrophobic organic compounds (HOCs) on quartzitic aquifer sands. Microscopic examination of three sands was used to quantify the coating thicknesses. With measures of the coatings' organic contents and porosities, we predicted the relative sorption rates for (a) multiple HOCs on one sand and (b) one HOC with three sands. The predicted relative rates and equilibrium coef ficients were assessed using observations of HOC transport through short sand columns operated at varying flow rates. We found that the column Kd values were always much less than predicted from Kocfoc or observed in batch tests. This suggests that diagenetically produced sorbents may include organic matter that is completely inaccessible for HOC sorption; procedures that disaggregate these sands could expose organic matter that does not sorb HOCs in the environment. Second, by modifying our retarded diffusion expectations with the inferred fraction of av.
Fluorescent probes for superresolution imaging of lipid domains on the plasma membrane

Accumulating evidence indicates that membrane lipids are not randomly distributed but rather form specific domains. In particular, raft-like microdomains composed of cholesterol and sphingolipids are attracting a lot of attention. These microdomains are thought to serve as platforms for signal transduction and molecular trafficking, but it is difficult to elucidate their detailed structure since their reported size is smaller than the resolution of light microscopy. To circumvent this limitation, we designed probes for cholesterol- and sphingolipid-enriched microdomains dedicated for superresolution microscopy, PALM. The probes utilise the affinity of the toxins, θ-toxin and lysenin, for the cholesterol- and sphingomyelin-enriched membranes, respectively. The toxicity can be avoided by using non-toxic domains that retain the specific binding to the aforementioned membranes. The probes can easily be produced in E. coli as recombinant protein domains of toxins fused to a photoswitchable fluorescent protein, Dronpa. PALM imaging with these probes revealed two types of cholesterol-enriched microdomains, line-shaped ones with widths of around 150 nm and round ones with an average radius of 118 nm. All sphingomyelin-enriched microdomains were round with an average radius of 124 nm. Both the cholesterol- and sphingomyelin-enriched microdomains vanished by the depletion of cholesterol. The sphingomyelin-enriched microdomains also vanished by the depletion of sphingomyelin whereas the cholesterol-enriched microdomains were unaffected. We conclude that cholesterol- and sphingomyelin-enriched domains occupy different regions on the plasma membrane.
Gas‐phase acid–base chemistry and its effects on mass isotopomer abundance measurements of biomolecular ions

Various parameters which affect mass isotopomer abundance measurements of derivatives of palmitic acid ionized by electron ionization (EI) and electron-capture negative chemical ionization (ECNCI) were tested on a sector-field double-focusing mass spectrometer. Results on methyl palmitate ionized by EI are as follows: (i) sample size had a significant effect on mass isotopomer abundance ratios (MIARs); (ii) the electron multiplier gain of the detector also had an effect on MIARS ; and (iii) ion scattering by ion-neutral collisions in the mass analyzer did not appear to have any significant effect on MIARs (under standard analysis conditions). However, 'reagent' gas pressure (methane) had a significant effect on MIARs of pentafluorylbenzyl palmitate ionized by ECNCI. It was concluded that there are two compensatory effects which alter MIARs of methyl palmitate ionized by El: (i) gas-phase acid-base chemistry in the source (specifically, proton transfer between fragment cations and neutral molecules); and (ii) detector non-linearities, specifically, underestimation of less abundant isotopomers due to their signal disproportionately falling within the signal-to-noise ratio level of the electron multiplier. Gas-phase chemistry is the dominant cause of inaccuracy in MIAR measurements for large sample sizes, while detector non-linearity is the dominant cause of inaccuracy in MIAR measurements at small sample sizes. However, in a narrow intermediate range of sample size, these two effects balance each other and result in MIARs which are 'acceptable' when compared with the known MIAR values. It is emphasized that these two effects are present regardless of the type of mass analyzer used, e.g. quadrupole, sector-field. Improvements in the accuracy of MIAR measurements will require developments in mass spectrometry aimed at eliminating each of the contributory effects.
Plastics chemical recovery for production of chemical intermediates at a Swedish chemical complex

The present report discusses process concepts for chemical recycling of waste streams for production of chemical intermediates at a Swedish chemical complex site. The total Swedish waste stream of plastics, automotive shredder residues (ASR) and electronic waste (WEEE) currently sent to energy recovery were considered and metal recovery was also considered for the relevant streams. Forest residues were also used as an input following a vision of feedstock flexibility and carbon-neutral production of chemicals. The layout of the envisioned waste-to-chemical plant includes a process for production of ethylene via gasification of plastics and forest residues and a process for production of syngas for OXO-synthesis applications via pyrolysis of ASR and WEEE. Mass and energy balances were established by process flowsheet simulations and process integration opportunities were identified by applying an energy targeting methodology. Finally, the GHG emission reduction potentials of such processes were quantified by keeping the energy recovery alternative as reference of comparison. Based on rather optimistic assumptions it was found that about 120 kt of ethylene per year and about 44 kt of syngas can be produced which are respectively about 15% and 26% of the site demand of ethylene and syngas to OXO synthesis. Overall, the estimated contribution to global GHG emission reduction lies in a range between 800 and 1300 kt CO2-eq per year depending on the different scenarios of marginal technologies for production of ethylene, electricity and heat. This is about the same order of magnitude of the current on-site GHG emissions at the Stenungsund chemical complex site. This result is based on the assumption that chemical recycling is alternative to energy recovery which in Sweden is done in CHP units connected to district heating networks. By diverting waste to chemical production, we assumed that biomass CHP units compensate for electricity and heat production and that this can even create a surplus of electricity in short term which in turns reduces the production of electricity in coal power plants. This results highlights that the climate consequences of the proposed recycling strategy are largely dependent, at least in Sweden, on the future development of the biomass prices and utilization. The results also show that an important reduction of GHG emissions can be obtained by recovering the large amounts of excess heat available from the thermochemical processes for production of steam which can be exported to the various chemical plants by appropriately placing the proposed processes close to or in the middle of the chemical complex site. This steam is about 70% of the steam currently produced at the site in natural gas boilers. The reduction of natural gas consumptions in steam boiler contributes to about 20 to 30% of the total GHG emission reduction potential which highlights the suitability of the Stenungsund site for large-scale implementation of biorefineries and waste-to-chemical plants.
Development of the enzyme-catalysed Baeyer–Villiger reaction as a useful technique in organic synthesis

The current practices of using monooxygenase enzymes to perform regio- and stereoselective oxidation reactions in organic syntheses are reviewed. The isolation of a monooxygenase from Pseudomonas putida NCIMB 10007 and its use in the conversion of bicyclo[3.2. 0]hept-2-en-6-one into two isomeric optically active lactones is described. The monooxygenase utilises NADH as cofactor and NADH-recycling is accomplished using formate and formate dehydrogenase. As alternative methodology, it is shown that a secondary alcohol can be converted into a chiral lactone using a dehydrogenase and a monooxygenase working in tandem with in situ cofactor recycling. © 1993 Wiley-Liss, Inc.
Formation of platinum(II) compounds containing isomeric σ-vinylic and σ-allylic six-membered chelate rings by deprotonation of the co-ordinated isopropenyl group: X-ray structure of the σ-vinylic complex di-µ-acetato-bis[o-isopropenylphenyl(diphenyl)arsineplatinum(II)]

The o-isopropenylphenyl(diphenyl)arsine (ipa) compounds PtCl2(ipa) and [Pt(acac)(ipa)][BF4](Hacac = acetylacetone) react with metal acetates to give, respectively, [[graphic omitted]t(O2CMe)]2(I), shown from X-ray analysis to have the deprotonated olefin bonded to the platinum atom as a σ-vinyl group, and [graphic omitted]t(acac)(II) in which the ligand is bonded as a σ-allylic group.
Review: Natural oxalates and their analogous synthetic complexes

Metal oxalates, commonly classified as organic minerals, are widely distributed in Nature, occurring in mineral deposits or as biominerals in plants, fungi, and lichens or in the form of deposits, of different kinds, in animal tissues. Eighteen natural species of this type have so far been reported and investigated. In the first part of this review we give an overview on the general characteristics of these minerals, including also some comments on their environmental effects. The central part of the review is devoted to the discussion of synthetic oxalates, analogous to the natural species, including the usual procedures employed for their synthesis and the thorough analysis of their crystallographic and structural peculiarities. The thermal, spectroscopic, and magnetic properties of these complexes are also discussed in detail. Some comparisons with related coordination compounds are also made along the text. Graphical Abstract M = Mg(II), Mn(II), Fe(II), Co(II), Ni(II), Zn(II)
Pretreatment of contaminated raw water by a novel double-layer biological aerated filter for drinking water treatment

Abstract Polluted source water presents a challenge for the conventional water treatment process. Biological pretreatment would be helpful if feasible. To our knowledge, few literatures were reported about the pretreatment of polluted source water by biological aerated filter. A novel double-layer biological aerated filter (DLBAF) was devised using floating media (polyethylene) and sunken media (clinoptilolite) as the under layer and the upper layer media, respectively. The results indicated that DLBAF was efficient for ammonium, TOC and UV254 removal, with an average removal rate of 80.87%, 24.62%, 20.74%, respectively. Particle counts with sizes of 2∼15 μm presented a removal rate above 55%, although the sizes distribution had not been altered. Microorganisms on the surface of the media were observed by scanning electrical microscope (SEM), and it indicated that there were different bio-film structures in the under and the upper media. The novel DLBAF got a simultaneous removal of organic matter and amm.
EFFECT OF WATER STRESS ON GRAIN FILLING IN RICE

Water stress, by affecting the rate of grain filling, decreased yield per panicle of rice by 29–40% in the small-seeded variety IR747(L) and by 19–32% in the large-seeded variety PP6R-13-12-3. It had little effect on the duration of grain filling. High nitrogen level increased culm+sheath and leaf blade weights substantially in both varieties, but decreased starch concentrations (determined for IR747(L) only) at flowering in the culm+sheath significantly. Relatively more starch remained in the culm+sheath of the water-stressed plants at maturity. The balance sheet suggested that plants grown at a low nitrogen level were more dependent on “reserve starch” and that the percentage of reserve starch that went to the panicle was higher in the stressed plants than in the unstressed plants. High nitrogen level increased the nitrogen concentration in the culm+sheath at flowering by about 80%. At harvest, the concentration decreased substantially irrespective of nitrogen levels and varieties. Relatively more nitro.
Effects of Hydrodynamics on Cultures of Mammalian Neural Stem Cell Aggregates in Suspension Bioreactors

Mammalian neural stem cells hold great promise for the treatment of central nervous system disorders. However, to be a viable clinical treatment for the millions of individuals afflicted with these disorders, it is necessary to develop cell expansion protocols. Although difficult to grow in bioreactors, neural stem cells can be expanded in carefully designed media as aggregates of brain tissue. The objective of this study was to examine the control of the aggregate size in a batch culture by manipulating the agitation rate, and hence the liquid shear and oxygen transfer rate, in bioreactors. This is very important because large aggregates can develop necrotic centers of dead cells due to transport limitations of key nutrients. Manipulation of the agitation rate allowed us to control the average aggregate diameter to 150 μm, below levels where necrosis would occur. Moreover, for the best conditions, viable stem cell densities of 1.2 × 106 cells/mL were achieved in a batch culture with viabilities remaining.
Dual‐Functional Poly(3,4‐ethylenedioxythiophene)/MnO2 Nanoellipsoids for Enhancement of Neurite Outgrowth and Exocytosed Biomolecule Sensing in PC12 Cells

Dual‐functional MnO2‐decorated poly(3,4‐ethylenedioxythiophene) (PEDOT/MnO2) nanoellipsoids are fabricated for enhancement of neurite outgrowth during differentiation and real‐time monitoring of PC12 cells. The PEDOT nanoellipsoids are prepared by chemical oxidation polymerization in reverse microemulsion and the MnO2 domains on the surface of the PEDOT are formed by redox deposition. A PC12 cell is used as a model cell for neuronal differentiation. The morphology, differentiation efficiency, average neurite length, expression level of DMT1, phosphorylation of ERK1/2, and viability of PC12 cells upon the exposure of the PEDOT/MnO2 nanoellipsoids are examined. The PEDOT/MnO2 nanoellipsoids facilitate neurite outgrowth in proportion to the dose of the nanoellipsoids, and MnO2 domains play a pivotal role in facilitation effects on cell differentiation. The PEDOT/MnO2 nanoellipsoids represent low toxicity in the cells due to biocompatible PEDOT matrix. Moreover, the PEDOT/MnO2 nanoellipsoids are further applied as a transducer material for label‐free real‐time monitoring of PC12 cells. The exocytosed catecholamines from living cells are successfully detected. The dual‐functionalized PEDOT/MnO2 nanoellipsoids may be used in tissue engineering related to the development and monitoring of mammalian nervous systems.