Miracle-dz/UniFAR-FTUs huggingface dataset:
Bi‐Functional Mechanism in Degradation of Toxic Water Pollutants by Catalytic Amorphous Metals

The authors report on the high catalytic activity and bi‐functional catalysis mechanism of amorphous metals in degrading AZO Dye, a toxic water pollutant and carcinogen. Aluminum‐based metallic glass was found to completely degrade AZO dye at room temperature without any toxic by‐products. The high catalytic activity originates from the simultaneous ionization of the transition metals, which act as electron donors for rapid degradation of AZO dye in an aqueous medium. The dye degradation rate and catalytic activity were characterized via UV–VIS absorption spectroscopy. The rate of dye degradation was significantly faster compared to state‐of‐the‐art zero valent iron. The dye degradation mechanism was studied using Raman and IR spectroscopy combined with X‐ray photoelectron spectroscopy.
Evaluation of ELISA Kits Followed by Liquid Chromatography-Atmospheric Pressure Chemical Ionization-Mass Spectrometry for the Determination of Organic Pollutants in Industrial Effluents

Contaminated industrial effluents often contain a variety of organic pollutants which are difficult to analyze by standard GC−MS methods since they often miss the more polar or nonvolatile of these organic compounds. The identification of highly polar analytes by chemical or rapid biological techniques is needed for characterization of the effluents. The present work will evaluate the use of enzyme linked immunosorbent assays (ELISA) kits for determining pentachlorophenol, carcinogenic PAHs and BTEX (benzene, toluene, ethylbenzene, and o-, m-, and p-xylene) among the organic analytes present in various industrial effluents from Europe (petrochemical plant and hazardous waste). The analytical protocol applied for the evaluation of the kits was based on the use of ELISA followed by solid-phase extraction (SPE) for the preconcentration of a variety of organic pollutants such as pentachlorophenol, phthalates, and nonylphenol and final determination with LC−MS characterization using an atmospheric pressure che.
Single-layer graphenes functionalized with polyurea: Architectural control and biomolecule reactivity

The nondestructive, covalent reactivity of single-layer graphene oxide (SLGO) and hydrazine-reduced graphene oxide (rGO) in relation to its 3-dimensional geometry has been previously considered for various chemical reactions. However, the capability of the modified system to undergo additional chemistry is now demonstrated through an in-situ polycondensation reaction resulting in various linear or hyperbranched condensed polymers [e.g., polyureas, polyurethanes, and poly(urea–urethane)-bonded graphenes]. The use of aliphatic diisocyanates as the anchor molecule initially forms star-like clusters of SLGO and rGO, and on in-situ polycondensation reaction with aliphatic diamines, the underlying graphene architecture is further modified into scroll-like domains with extensive intersheet bridging. The use of aromatic isocyanates as bridging molecules keeps the graphene structure flat and is maintained throughout the polycondensation reaction with aromatic diamines. Critical point drying of the graphene–polymer composites shows that changes to the architecture of the composite occur in the solution phase and not through surface tension effects on drying. According to TGA analysis, the aliphatic systems have higher grafted polymer weight proportions of polyurea than the aromatic counterparts and the rGO systems are found to be greater than the SLGO composites. In all experiments, the external surface of the graphene–polyurea macrostructure is demonstrated to be reactive toward biomolecules such as ferritin and is therefore useful toward a solution chemistry development of morphology-controlled graphene-based bio-nano applications.
Effect of chloride application and low soil pH on cadmium uptake from soil by plants

Abstract Although phytoremediation is a promising method for the removal of cadmium (Cd) from contaminated soil, plants remove Cd from soil slowly. To increase Cd uptake by plants, the effects of the application of chloride ions (Cl−) and a decrease in soil pH on the amount of Cd taken up by plants were investigated in a pot experiment using soil collected from paddy fields contaminated with Cd from mining wastewater. Three treatments were applied (all quantities were expressed on a 350 g soil basis): control (0.6 g (NH4)2SO4 as N fertilizer), Cl− application (0.5 g NH4Cl as N fertilizer and 0.15 g CaCl2) and low pH (0.8 g powdered sulfur plus NH4Cl and CaCl2). Sunflower (Helianthus annuus), kenaf (Hibiscus cannabinus) and sorghum (Sorghum vulgare) plants were grown in the treated soil for 33 days in a growth chamber under a 26°C/24°C day/night (16 h/8 h) regime. At harvest, the plants were separated into roots, stems and leaves, and the Cd concentration was determined. The application of Cl− approximately doubled the amount of Cd taken up by sunflower and kenaf leaves compared with the control. The effect of soil acidification on Cd uptake differed among the plant species owing to differences in tolerance to low pH. Soil pH after harvesting in the low pH treatment was approximately 3.5, which led to an increase in Cd uptake by kenaf plants, but markedly decreased Cd uptake by sorghum plants because of root damage. The results showed that the application of Cl− increased Cd uptake in all the plant species studied, and that it could be a promising method for phytoremediation of Cd in combination with soil pH adjustment, depending on the tolerance of the plant species to low pH.
Analyse théorique et expérimentale de la diffusion de la lumière générée par une diode électroluminescente dans des répliques tissulaires Theoretical and experimental analysis of the diffusion of light generated by a light emitting diode inside tissue-like media

HAL is a multi-disciplinary open access archive for the deposit and dissemination of scientific research documents, whether they are published or not. The documents may come from teaching and research institutions in France or abroad, or from public or private research centers. L’archive ouverte pluridisciplinaire HAL, est destinée au dépôt et à la diffusion de documents scientifiques de niveau recherche, publiés ou non, émanant des établissements d’enseignement et de recherche français ou étrangers, des laboratoires publics ou privés. Analyse théorique et expérimentale de la diffusion de la lumière générée par une diode électroluminescente dans des répliques tissulaires Jean-Yves Le Pommellec, Jean-Pierre L’Huillier
Pharmaceutical Powder Compaction Technology

Pharmaceutical Powder Compaction Technology Revised to reflect modern pharmaceutical compacting techniques, this second edition of Pharmaceutical Powder Compaction Technology guides pharmaceutical engineers, formulation scientists, and product development and quality assurance personnel through the compaction formulation process and application. This unique reference covers: Pharmaceutical Powder Compaction Technology (Drugs and the . Compaction of powder constituents-both active ingredient and excipients-is examined to ensure consistent and reproducible disintegration and dispersion profiles. Revised to reflect modern pharmaceutical compacting techniques, this second edition of Pharmaceutical Powder Compaction Technology guides pharmaceutical engineers, formulation scientists, Pharmaceutical Powder Compaction Technology | Taylor . Compaction of powder constituents—both active ingredient and excipients—is examined to ensure consistent and reproducible disintegration and dispersion profiles. Revised to reflect modern pharmaceutical compacting techniques, this second edition of Pharmaceutical Powder Compaction Technology guides pharmaceutical engineers, formulation scientists, and product development and quality assurance personnel through the compaction formulation process and application. Pharmaceutical Powder Compaction Technology 2nd Edition . Pharmaceutical powder compaction technology. ''Revised to reflect modern pharmaceutical compacting techniques, this Second Edition guides pharmaceutical engineers, formulation scientists, and product development and quality assurance personnel through the compaction formulation process and application. Compaction of powder constituents both active ingredient and excipients is examined to ensure consistent and reproducible disintegration and dispersion profiles. Pharmaceutical powder compaction technology | Metin Celik . This unique reference examines the modern pharmaceutical compacting techniques used to form tablets out of powders-
Thick CoFeB with perpendicular magnetic anisotropy in CoFeB-MgO based magnetic tunnel junction

We have investigated the effect of an ultra-thin Ta insertion in the CoFeB (CoFeB/Ta/CoFeB) free layer (FL) on magnetic and tunneling magnetoresistance (TMR) properties of a CoFeB-MgO system with perpendicular magnetic anisotropy (PMA). It is found that the critical thickness (tc) to sustain PMA is doubled (tc = 2.6 nm) in Ta-inserted CoFeB FL as compared to single CoFeB layer (tc = 1.3 nm). While the effective magnetic anisotropy is found to increase with Ta insertion, the saturation magnetization showed a slight reduction. As the CoFeB thickness increasing, the thermal stability of Ta inserted structure is significantly increased by a factor of 2.5 for total CoFeB thickness less than 2 nm. We have observed a reasonable value of TMR for a much thicker CoFeB FL (thickness = 2-2.6 nm) with Ta insertion, and without significant increment in resistance-area product. Our results reveal that an ultra-thin Ta insertion in CoFeB might pay the way towards developing the high-density memory devices with enhanced t.
Mechanisms of Solute Interfacial Transfer in Winsor-II Systems

The forward transfer kinetics of a water-soluble cationic dye (dimidium) across the planar interface from a conjugate aqueous phase to a water-in-oil (w/o) microemulsion phase (formed using the anionic surfactant Aerosol-OT) have been investigated by means of a rotating diffusion cell. By measurement of the solute flux as a function of rotation speed of the diffusion cell membrane, the influence of mass transport effects to and from the interface could be controlled and eliminated by extrapolation to infinite rotation speed. The rate of forward transfer was linearly proportional to the concentration of solute in the aqueous phase; i.e., it was not possible to saturate the aqueous side of the interface. The rate, however, was found to reach a limiting value on increasing the concentration of nano water droplets in the microemulsion phase. This is explained by a transport model in which the dye initially partitions to the aqueous side of the interface; it then enters the organic phase inside a forming water.
Radical emulsion polymerization with chain transfer monomer: an approach to branched vinyl polymers with high molecular weight and relatively narrow polydispersity

Radical polymerization with 3-mercapto hexyl methacrylate as the chain transfer monomer (CTM) to prepare branched vinyl polymers with high molecular weights and relatively narrow polydispersities has been carried out in aqueous emulsion. Potassium persulfate was used as the initiator, and sodium dodecyl benzene sulfate or hexadecyl trimethyl ammonium bromide was used as the emulsifier. The obtained polymers were characterized using NMR and size exclusion chromatography. Compared with polymers obtained from solution polymerization and results reported in the literature, branched polymers can be prepared at higher monomer/branching monomer feed ratios (100/25) with high monomer conversion (usually >95%) without gelation. The obtained branched polymers also showed considerably higher molecular weights and relatively narrower polydispersities at the same feed ratio of monomer/branching monomer. The unique radical termination mechanism in emulsion reaction determines that soluble branched polymers with high molecular weight and relatively narrow polydispersity can be prepared at a wide range of monomer/CTM feed ratios without gelation.
Aqueous OH oxidation of ambient organic aerosol and cloud water organics: Formation of highly oxidized products

Aqueous chemistry can play a vital role in secondary organic aerosol (SOA) formation and aging. A novel analytical approach that allows for simultaneous photo‐oxidation and atomization of reacting bulk solutions coupled to an aerosol mass spectrometer (AMS) investigates aqueous OH oxidation of ambient biogenic SOA, cloud water from a biogenic environment, glyoxal, and mixtures of glyoxal with α‐pinene SOA components. This is the first study of aqueous oxidative aging of ambient SOA and cloud water organics. Starting with an AMS‐based observational framework, we show that aqueous oxidation of biogenic SOA in the presence of glyoxal can better represent observed atmospheric aging than when glyoxal is absent. Oxidation of glyoxal alongside semi‐volatile SOA components leads to the production of highly oxidized SOA.
Newer optical-based molecular devices from older coordination chemistry

This short review illustrates how the wealth of receptors and ligands available within coordination/supramolecular chemistry can serve as a launch-pad for producing information-handling optical-based molecular devices of various kinds: sensors, assay reagents, logic gates and even small-scale number processors. Such a diverse range of information-handlers allows the addressing of problems in different areas from a common viewpoint. The common viewpoint is strengthened further when we find that the design principles are quite small in number.
THE CRYSTAL STRUCTURE OF PARAGEORGBOKIITE, β-Cu5O2(SeO3)2Cl2

The crystal structure of parageorgbokiite, β-Cu 5 O 2 (SeO 3 ) 2 Cl 2 , a new mineral species from the fumaroles of the Great Fissure Tolbachik eruption, in the Kamchatka Peninsula, Russia, has been solved from single-crystal X-ray-diffraction data by direct methods and refined to R 1 = 0.032 for 1388 unique reflections with | F o | ≥ 4σ F . The mineral is monoclinic, space group P 2 1 / c , a 5.3982(5), b 8.0543(8), c 11.1277(10) A, β 99.258(2)°, V 477.52(8) A 3 , Z = 2. The structure contains three symmetrically unique Cu positions, each octahedrally coordinated by O 2− and Cl − anions. There is one symmetrically independent Se 4+ cation coordinated by three O atoms, to form SeO 3 trigonal pyramids. The structure of parageorgbokiite is best described in terms of arrangements of the strong M –O bonds ( M = Se 4+ and Cu 2+ ). The O1 atom is not bonded to Se 4+ cations and is tetrahedrally coordinated by four Cu 2+ cations, which results in the formation of an oxocentered O1Cu 4 tetrahedron. Two O1Cu 4 tetrahedra share a Cu3.Cu3 edge to form O 2 Cu 6 dimers that are further linked by sharing the Cu2 corners to form O 2 Cu 5 infinite chains parallel to the a axis. The SeO 3 pyramids are attached to the faces of the oxocentered tetrahedra in a “face-to-face” position to form complex ([O 2 Cu 5 ][SeO 3 ] 2 ) 2+ chains and a three-dimensional framework with channels occupied by the Cl − anions. A comparison of parageorgbokiite and georbokiite shows that the two minerals have the same space group P 2 1 / c (monoclinic), but differ in their unit-cell parameters. The structures of both minerals are based upon the same complex ([O 2 Cu 5 ][SeO 3 ] 2 ) 2+ chains. However, the arrangements of the chains in the structures are different. The channels in parageorgbokiite are larger than those in georgbokiite. From the lower density of parageorgbokiite in comparison to georbokiite, we suggest that parageorgbokiite is a high-temperature modification of Cu 5 O 2 (SeO 3 ) 2 Cl 2 that is either chemically or kinetically stabilized at ambient conditions.
Cadmium in Sugar Cane and Vegetable Systems of Northeast Australia

Abstract Long‐term agricultural sustainability and food quality are threatened by a range of chemicals capable of persisting in the environment and entering the food chain at concentrations that can pose threats to human health. The heavy metal cadmium (Cd) is one of these, despite the existence of Cd food standard developed by Food Standards Australia New Zealand and standards for Cd in fertilizer. This article collates information from northeast Australia (mostly Queensland) by river catchment on historical inputs of Cd as an impurity in P fertilizers and on total concentrations in a broad selection of soils used primarily for sugar cane and vegetable production. How Cd partitions by soil depth and how it recycles in sugar cane production systems is explored in the context of sustainability. Actions by state governments to regulate the maximum permitted concentrations and encourage the fertilizer industry to lower Cd impurities in commercial products have helped reduce the quantity of Cd entering the two cropping systems. The study also reports briefly on the assessment of four soil chemical tests for Cd to assess the likelihood of edible vegetables grown on nonsaline soils from Queensland exceeding a concentration of 0.025 mg Cd kg−1 fresh weight. The order of accumulation of Cd (fresh weight basis) in the vegetables studied was as follows: leaf vegetables>roots and bulbs>vegetable stems and fruits>seed vegetables≈brassica. Silverbeet accumulated the most Cd, a finding in accord with international reports.
Comparative Effects of (SBE)7m‐β‐CD and HP‐β‐CD on the Stability of Two Anti‐neoplastic Agents, Melphalan and Carmustine

Abstract The purpose of this study was to evaluate and compare the potential use of two parenterally safe β‐cyclodextrins derivatives, (SBE) 7m ‐β‐CD and HP‐β‐CD, as solubilizers and stabilizers for melphalan and carmustine, two very unstable antineoplastic agents. Phase solubility and chemical stability of the compounds in the presence of the cyclodextrins were studied. UV, fluorescence, and several NMR techniques were used to probe the potential causes for the differences observed. The phase solubility method was found to provide only qualitative data on the binding of melphalan to the cyclodextrins since rapid degradation and the presence of products of degradation complicated the interpretation of the results. Qualitatively, however, the solubilizing potential was similar for the two cyclodextrins. The chemical stability studies indicate that both of the drugs had similar binding constants for both cyclodextrins; however, the intrinsic reactivities in the complexes were significantly lower with (SBE) 7m ‐β‐CD than for HP‐β‐CD. The main cause for this distinct difference appeared to correlate with differences in the site of binding and the polarity of the binding site. © 2000 Wiley‐Liss, Inc. and the American Pharmaceutical Association J Pharm Sci 89: 275–287, 2000
Charge-compensation models of four and four centres in

An overall comparison between the principal-axis orientations of the -tensors and the second-order zero-field-splitting (ZFS) tensors for four and four centres reported on in our previous studies has been made. One direction of the principal axes of the -tensor is nearly the same as one of those of the second-order ZFS tensor for centres, but a similar direction does not exist for centres. It is also found that one direction of the principal axes of the second-order ZFS tensors for centres is similar to one of those for the centres. It is suggested that ions substituted for in tetrahedra play the role of positive monovalent charge compensators for both and , replaced at the sites Ti(1) and Ti(2). Possible charge-compensation models related to ions for providing an explanation of the origins of the two different centres arising from the and at crystallographically equivalent Ti sites are also suggested.
A novel conversion process for waste slag: synthesis of calcium silicate hydrate from blast furnace slag and its application as a versatile adsorbent for water purification

Blast furnace slag (BFS), a high volume byproduct resulting from the iron manufacturing industry, was used as a low-cost and abundant precursor for preparing a high-surface-area calcium silicate hydrate. The synthesis of slag-made calcium silicate hydrate (slagCS) was achieved via a facile two-step dissolution–coprecipitation procedure using HCl and NaOH, respectively. The use of concentrated protonic acid facilitated an easy dissolution of BFS, and the subsequent addition of aqueous NaOH solution at 100 °C yielded a hydrate product with over 85% atom economy (10.9 g from 10.0 g of BFS). By the combination of XRD, FT-IR, 29Si MAS NMR, FE-SEM, nitrogen physisorption and chemical analysis, the product synthesized under optimum conditions was identified to be a calcium silicate hydrate with a stoichiometry of Ca : Si = 1 : 1 and with a mean surface area of 219 m2 g−1 incorporating the slag-derived metals (Al, Mg, Fe, Ti and Mn) in its structure. The thus synthesized slagCS showed good adsorption properties for removal of Cu2+, phosphate ions and model protein (ovalbumin) diluted in water, making this material a promising candidate for efficient bulk wastewater treatment.
A comparative analysis of binding sites between human PKD1 and PKC1 based on homology modelling, molecular dynamics simulation and docking studies

Human protein kinase C1 (PKC1) and protein kinase D1 (PKD1) are two closely related enzymes, which have emerged as key regulators of many important cellular processes. In this study, 3D models of human PKC1 and PKD1 were constructed based on homology modelling and molecular dynamics simulations. A novel 2,6-naphthyridine is a potent and selective inhibitor for human PKD1 and not for PKC1, which was docked into them and positioned in their active sites with different orientations. By comparison of active site architectures between human PKC1 and PKD1, the possible reasons affecting their inhibitor binding were proposed. In addition, some residues are identified as critical residues for inhibitor binding.
Beam and Specimen: Radiation Damage and Image Resolution

Energy loss of the electron beam in the specimen affects the electron microscopical resolution, owing to chromatic aberration, and causes radiation damage by ionisation, heating and direct ejection of atoms. Measurements recently made of the energy loss in carbonaceous specimens confirm that the effect on image resolution will be negligible in very high resolution microscopy. Additional assumptions are required in order to obtain the rate of ionisation and bond breakage. On the best evidence available, it is estimated that the order of 2 chemical events will be caused during the minimum exposure needed to image an atom. The rate of ejection of atoms from carbonaceous material can be calculated rather more accurately. About 1 atom in 2500–3000 would be ejected in such an exposure, which would probably not seriously degrade a macromolecule.