Miracle-dz/UniFAR-FTUs huggingface dataset:
Raman identification of lonsdaleite in Popigai impactites

Micro-Raman spectroscopy and X-ray diffraction method (XRD) were used to characterize impact carbonaceous rocks excavated from the Popigai crater (Siberia). The deconvolution of the first-order Raman spectra of the rocks containing different amounts of carbon phases (diamond, lonsdaleite and graphite) allowed the identification of lonsdaleite spectrum. The most intensive band at 1292–1303 cm−1 was ascribed to A1g vibration mode of lonsdaleite, whereas the less intense band at 1219–1244 cm−1 was attributed, in agreement with previously reported ab initio calculations, to E2g vibration mode. The established correlation between the intensities of Raman and XRD peaks permits a rough estimation of lonsdaleite/diamond phase ratio in the impact rocks using micro-Raman measurements. The second-order Raman spectra of lonsdaleite–diamond rocks were recorded. Copyright © 2014 John Wiley & Sons, Ltd.
X-ray excited luminescence of cuprous iodide single crystals: On the nature of red luminescence

The x-ray excited luminescence spectra of different quality CuI crystals were measured. The prevailing blue luminescence and the unusual red luminescence were found at the same time. The relative intensity of these two luminescence peaks was different because of the change of defect concentration in crystals. By comparing the spectra of CuI crystals before and after annealing in vacuum, air or iodine vapors, the origin of the red luminescence in the as-grown crystals was ascribed to the presence of iodine vacancy, as confirmed by the energy dispersive x-ray analysis.
Electronically Conducting Proton Exchange Polymers as Catalyst Supports for Proton Exchange Membrane Fuel Cells. Electrocatalysis of Oxygen Reduction, Hydrogen Oxidation, and Methanol Oxidation

A variety of supported catalysts were prepared by the chemical deposition of Pt and Pt‐Ru particles on chemically prepared poly (3,4‐ethylenedioxythiophene)/poly (styrene‐4‐sulfonate) (PEDOT/PSS) and PEDOT/polyvinylsulfate (PVS) composites. The polymer particles were designed to provide a porous, proton‐conducting and electron‐conducting catalyst support for use in fuel cells. These polymer‐supported catalysts were characterized by electron microscopy, impedance spectroscopy, cyclic voltammetry, and conductivity measurements. Their catalytic activities toward hydrogen and methanol oxidation and oxygen reduction were evaluated in proton exchange membrane fuel‐cell‐type gas diffusion electrodes. Activities for oxygen reduction comparable to that obtained with a commercial carbon‐supported catalyst were observed, whereas those for hydrogen and methanol oxidation were significantly inferior, although still high for prototype catalysts. © 1999 The Electrochemical Society. All rights reserved.
Nanoreactors for Polymerizations and Organic Reactions

The aim of this Perspective is to use the knowledge of the underpinning kinetic and thermodynamic precepts that govern free-radical and “living” radical water-based heterogeneous polymerizations and apply this to small molecule organic reactions in nanoreactors. The difficulty in applying “living” radical polymerization to water-based heterogeneous systems has led to such an understanding, including partitioning of agents between the phases, nucleation of particles, and other phenomena including superswelling. This knowledge has allowed us to prepare polymers in heterogeneous systems with well-defined molecular weight distributions and particle size distributions. However, to overcome the physical chemistry constraints, researchers had to develop complex nanoreactor systems. For the field of small molecule organic reactions in heterogeneous systems to be industrially relevant and to grow rapidly, such physical chemistry precepts should be more greatly developed.
Use of Continuous Measurements of Integral Aerosol Parameters to Estimate Particle Surface Area

While surface area is one of the most important atmospheric aerosol properties in health effects, methods for online measurement of surface area are not widely available and/or require complex operations. In this paper, we describe an integrated measurement method that can continuously monitor the total surface area, as well as the total number and volume, of atmospheric aerosols. Three integral aerosol sensors - (i) a condensation particle counter (CPC) for number concentration measurement, (ii) a mass concentration monitor (MCM) for mass concentration measurement, and (iii) an electrical aerosol detector (EAD) for current measurement of charged aerosol - are used in this study. Signals from the three sensors are converted into a lognormal size distribution by minimizing the difference between the measured signals and the theoretical values based upon a size distribution model, the instrument calibration, and its theoretical responses. Results from a 20 day continuous sampling period show that the calculated total surface area from integrated measurement correlates well with that of particle sizing measurement. The calculated lognormal size distribution parameters between the two methods have similar values. These results suggest that the integrated measurement method is feasible to continuously measure total number, surface area, and volume concentrations. As the integrated measurement method can yield results in near real time, it can be used for online measurement of atmospheric aerosols.
Organic electro-optic materials

Abstract The macroscopic electrooptic activity of organic materials depends upon the molecular hyperpolarizability, beta, of individual organic chromophores and upon the product of number density, N, and noncentrosymmetric order, <cos3theta>, of the chromophores in a hardened polymer lattice. Quantum and statistical mechanical calculations provide the basis for rational improvement of these parameters leading to electro-optic coefficients (at telecommunication wavelengths) of greater than 100 pm/V (a factor of 3 larger than values for the best inorganic material, lithium niobate). Such calculations also provide insight into what further improvements can be expected. Owing to low and relatively dispersionless dielectric constants and refractive indicies, organic materials facilitate the fabrication of devices with 3 dB operational bandwidths of greater than 100 GHz. Moreover, robust and low optical loss materials can be fabricated by design. An under-appreciated advantage of organic electro-optic materials is their processability, and a variety of stripline, cascaded prism and super-prism, and ring microresonator devices are readily fabricated. Conformal, flexible, and three-dimensional devices are also readily produced. With ring microresonator devices, active wavelength division multiplexing, optical network reconfiguration, and laser frequency tuning are straightforwardly accomplished.
Nitramino, NRNO2 (R = H, CH3), as a substituent. 13C and 15N NMR spectroscopic study of nitraminobenzenes and ‐pyridines

In order to clarify the special properties of the aryl‐bound nitramino substituent NRNO2 (R = H, CH3), 13C and 15N NMR spectra of six nitraminobenzenes and nine nitraminopyridines were measured in DMSO‐d6 and their chemical shifts assigned. 1H NMR chemical shifts and spin‐spin coupling constants of all the compounds were also determined. In contrast to the behaviour of nitropyridines or ‐benzenes studied previously, most of the present compounds gave very broad 17O NMR lines even at elevated temperatures and their 17O NMR data were not useful for any reliable conclusions.
Ethanol‐water pulping: Cooking variables optimization

The ethanol-based pulping of Eucalyptus globulus by the ALCELL® process was studied to determine the optimum cooking conditions. In the first set of experiments the influence of chip size, chip impregnation, liquor-to-wood ratio and cooking additives was studied. Once the more convenient values for these variables were established according to kappa number, yield and viscosity, a surface response method was used to determine the influence of cooking temperature, cooking time and ethanol concentration on autocatalyzed pulping process. The developed models indicate that a high screened pulp yield (56%) and acceptable kappa number (23) and viscosity (1030 mL/g) can be obtained when cooking conditions are around 185°C, 110 min and 50% of ethanol.
Ru-Sn-B/Al2O3 Catalysts for Selective Hydrogenation of Methyl Oleate: Influence of the Ru/Sn Ratio

This study focuses on the influence of the Ru/Sn ratio on the catalytic hydrogenation of methyl oleate to oleyl alcohol using Ru-Sn-B catalysts, notably on the catalytic activity and selectivity. Sn addition acts positively over the oleyl selectivity by reducing the rates of C=O and C=C saturation but also decreases the global activity. The catalyst with the highest activity and selectivity towards oleyl alcohol is Ru(1%)-Sn(2%)-B/Al2O3. At a low Sn loading (0.5%) the catalyst has high activity for hydrogenation of the carbonyl group and the carbon-carbon double bond. As a consequence stearyl alcohol is produced with high yield. At a high Sn content (4%) the catalyst has lower selectivity to oleyl alcohol due to its low capacity for hydrogenating the carbonyl group. However it has enough activity for hydrogenating the C=C double bonds to produce the saturated methyl ester.
Exploiting stromal-epithelial interaction for model development and new strategies of gene therapy for prostate cancer and osteosarcoma metastases (review)

Exploiting stromal-epithelial interaction for model development and new strategies of gene therapy for prostate cancer and osteosarcoma metastases (review) Thomas A. Gardner1, Song-Chu Ko1, Chinghai Kao1, Toshiro Shirakawa1, Jun Cheon1, Akinobu Gotoh1, Tony T. Wu1, Robert A. Sikes1, Haiyen E. Zhau1, Quajun Cui2, Gary Balian2 and Leland W. K. Chung1 1 Molecular Urology and Therapeutics, Department of Urology, 2 Orthopedic Research, Department of Orthopedics, The University of Virginia Health Sciences Center, Charlottesville, VA 22908 ______________________________________________________________________________________ ________________
EMULSION COPOLYMERIZATION OF ACRYLONITRILE AND BUTADIENE. SEMIBATCH STRATEGIES FOR CONTROLLING MOLECULAR STRUCTURE ON THE BASIS OF CALORIMETRIC MEASUREMENTS

A semibatch emulsion copolymerization of acrylonitrile and butadiene is theoretically investigated, with the aim of controlling the molecular structure of the produced NBR. An open-loop estimator based on calorimetric measurements is proposed for monitoring the chemical composition, the average molecular weights, and the average degree of branching. With little effect on the other quality variables, the intermediate addition of acrylonitrile allows to produce a polymer with a constant chemical composition. Similarly, the intermediate addition of the chain transfer agent produces a polymer with either a fixed or with a prespecified linear variation of the average branching. The required feed profiles are obtained from a numerical inversion of a discrete process model. By increasing the initiator loads, the semibatch strategies also allow to increase the final conversion between 3% and 6%, without altering the reaction time nor deteriorating the polymer quality with respect to the batch. The numerical procedures were tested by inputing (relatively noisy) heat measurements from an industrial batch reactor.
In Vitro Regeneration Studies of Sugarcane

Mass propagation protocol, callus induction and subsequent plant regeneration in vitro in Sugarcane cultivars, CoS 8436 and CoJ 83 were worked out. Axillary bud induction observed best (80-95%) from field grown (8-12 months old) shoot tip spindle explants within 7-10 days in semi solid MS media supplemented with BAP (0.5 mg/l) and Kn (0.5mg/l), however maximum shoots/explant (4.25 5.75) were observed in MS + BAP (1.5mg/l) + Kn (1.5mg/l). After two cycle serial subculture in semi solid media for establishment, shoot clumps were multiplied in liquid media, provide higher multiplication rate (3.63-4) in MS + BAP (1.0mg/l) + Kn (1.5mg/l) and higher shoot elongation in MS + BAP (0.5mg/l) + Kn (0.5mg/l). In vitro grown shoots/shoot clumps show earlier root induction (5-7 days), higher no of roots and root length in MS+ NAA (5 mg/l) + sugar (70gm/l). Spindle explants show better callus induction response in MS + 2, 4-D (3mg/l) within 14 days in dark and multiplied in reduced/half conc. of auxin. Plantlet regeneration (68-74%) were best obtained from compact nodular, morphogenic calli cultured in MS media supplemented with BAP (0.5mg/l) and Kn (0.5mg/l) cultured in light and show similar responses for shoot multiplication, elongation and rooting.
Selection of a Surrogate MC252 Oil as a Reference Material for Future Aquatic Toxicity Tests and Other Studies

Samples from the surrogate candidate facilities were analyzed to determine their hydrocarbon profiles. The classes of compounds tested included total petroleum hydrocarbons, volatile hydrocarbons (benzene, toluene, ethylbenzene, and xylenes [BTEX]), saturated hydrocarbons (alkanes), polycyclic aromatic hydrocarbons (PAHs), alkylated PAHs, and geochemical biomarkers (steranes and triterpanes). Bulk properties of the Horn Mountain and Marlin Platform crude oils are similar to the Macondo crude oil. Stable carbon isotopic concentrations of the Marlin Platform oils are nearly identical to the Macondo oil and only slightly different from the Horn Mountain Platform oils. Chromatographic profiles of the top two surrogate candidates generated by gas chromatography/flame ionization detection are similar to the Macondo crude oil (Figure 2), as are the total PAH concentrations (Figure 3). Volatile hydrocarbon concentrations were generally comparable to the Macondo crude oil in the Marlin Platform 001 sample, and slightly lower in the remaining surrogate candidate samples (Figure 4).
Controlling the energy transfer in lanthanide–organic frameworks for the production of white-light emitting materials

Visible color tunable and white-light emitting Ln-MOFs were obtained via layer-by-layer epitaxial growth of different [Ln2(Mell)(H2O)8] compounds, where Mell is mellitate anion and Ln = Eu3+, Tb3+ and Gd3+. The RGB-MOF, RBG-MOF, BRG-MOF and BGR-MOF materials exhibit white-light emission and CIE coordinates (0.337, 0.336), (0.339, 0.330), (0.338, 0.337) and (0.333, 0.336), upon excitation at 361, 347, 378 and 360 nm, respectively. These values are very close to the standardized value of (0.33, 0.33).
Drying Kinetics of Extruded Pellets in Fixed Beds

To study the drying behavior of extruded feed pellets in a fixed bed, the drying kinetics were investigated in a laboratory-scale dryer. The effect of types of aeration, air temperature, and bed depth on drying curves and moisture nonuniformity was analyzed. The results showed that drying was mainly affected by the air flow direction, air temperature, and bed depth. The moisture nonuniformity was 2% for an alternating air flow direction drying, where as it was 7% for one-way drying at a bed depth of 15 cm at 33 min. Alternating direction drying improved moisture uniformity, but the drying rate was decreased at a bed depth of 20 cm. A constant drying stage was observed at a critical bed depth, where as an increasing drying rate stage was observed for a deeper bed. The pressure drop (ΔP/L) was studied by ventilation experiments considering the effect of air flow rate, moisture content, bed type, and bed depth. The result showed that pressure drop in a double bed was greater than that in a single bed with the same bed depth. The pressure drop increased with air flow rate and decreased with moisture content and bed depth.
One pot synthesis of octahedral {111} CuIr gradient alloy nanocrystals with a Cu-rich core and an Ir-rich surface and their usage as efficient water splitting catalyst

A facile one pot synthetic route has been developed to obtain octahedral CuIr nanocrystals with Ir-rich {111} facets. Co-decomposition of Cu and Ir precursors in the presence of CTAC (cetyltrimethylammonium chloride) forms CuIr nanocrystals with an Ir-rich {111} facet. A mechanistic study reveals that the surface Cu atoms of the initially formed octahedral-shaped Cu-rich Cu–Ir alloy nanoparticles are replaced by Ir atoms via a galvanic replacement reaction. The formation of the Ir phase is rather slow, leading to the impermeable nature of the Ir shell, which does not allow the dissolution of the Cu phase. The CuIr nanocrystals with an Ir-rich shell show high catalytic activity toward oxygen evolution reaction.
Practical improvements to automatic visual speech recognition

Visual speech recognition (a.k.a lip-reading) is the task of recognizing speech solely from the visual movement of the mouth. In this work, we propose multiple feasible and practical strategies, and demonstrate significant improvements to the established competitive baselines in both low-resource and resource-rich scenarios. On one hand, one main challenge in practical automatic lip-reading is to deal with the diverse facial viewpoints in the available video data. With the recent proposal of the spatial transformer, the spatial invariance to input data in the convolutional neural network has been enhanced and it has demonstrated different levels of success in a broad spectrum of areas including face recognition, facial alignment and gesture recognition with promising results by virtue of the increased model robustness to viewpoint variations in the data. We study the effectiveness of the learned spatial transformation to our model through quantitative and qualitative analysis with visualizations and attain an absolute accuracy gain of 0.92% to our data-augmented baseline on the resource-rich Lip Reading in the Wild (LRW) continuous word recognition task with incorporation of spatial transformer. On the other, we explore the effectiveness of convolutional neural network (CNN) and long short-term memory (LSTM) recurrent neural network in lip-reading under a low-resource scenario that has not yet been explored before. We propose an end-toend deep learning model fusing conventional CNN and bidirectional LSTM (BLSTM) together with maxout activation units (maxout-CNN-BLSTM) and dropout, which is capable of attaining a word accuracy of 87.6% on the low-resource Ouluvs2 corpus, offering
Dispelling the myths: Is the existence of L1 and L2 ligands necessary to explain metal ion speciation in natural waters?

A critical analysis and interpretation of the data published for complexation (conditional stability constants and complexation capacities) of trace metals (copper, Cu(II); zinc, Zn(II); lead, Pb(II); and cadmium, Cd(II)) in whole seawater and freshwater samples over the past 34 yr is presented. We propose that it is not necessary to invoke the presence of any particular classes of ligands (e.g., the so‐called L1 and L2 ligands) to explain the degree of metal complexation observed. Consideration of the presence of a range of many different types of ligands could explain the observed linear relationship between the stability of complexes (log ) and the effective metal ion loading (complexation capacity, ), without the need to assume the presence of any stable specific complexants. Apparently stronger binding sites are utilized at lower metal ion loadings; progressively weaker sites contribute to complexation at higher metal ion concentrations. Taking into account the detection window of the technique employed greatly improves the internal consistency of the overall data. When comparable windows are used, no significant difference is observed between the log relationship for Cu(II) and that for Zn(II), Pb(II), or Cd(II). In natural waters, the complexing material present will be a combination of that derived from terrestrial sources and that formed in situ in the water column. An important observation arising from our analysis is that the binding curves for natural ligands in whole natural‐water samples lie between the binding curves for compounds representative of each these sources, viz. isolated aquatic fulvic acids and biota.
Measurement and simulation of PD in epoxy voids

Experimental data are presented of the development of PD activity in artificial air-filled spherical voids in epoxy resin over a period of /spl sim/6 months. The data are presented in the form of phase averaged plots of the charge distribution over the time (aging plots) and phase resolved histograms (PRPD patterns) at various aging states. They are interpreted by comparison to numerical simulations which are based on a physical discharge model. This provides insight into the physical changes in the void during aging. The simulation is the basis for a physically meaningful interpretation of the PD data. It provides rules for the identification of the defect type, the defect quantification, and an assessment of the aging stage. >
The Flow Characteristics of Halloysite Suspensions

Abstract The rheology of aqueous suspensions of Na halloysites with different particle shape has been investigated using a Haake rotary viscometer. Three halloysites from New Zealand were used: Matauri Bay (MB), Te Akatea (TA) and Opotiki (Op) which are mainly composed of thick long tubules, short thin laths, and spherules, respectively. Suspensions of the materials subsequently prepared from the MB and TA samples show a pseudoplastic consistency under shear, characterized by a steep initial rise in shear stress as shear rate increases, followed by a linear increase in stress when a certain shear rate is exceeded. The Op halloysite, on the other hand, shows Newtonian flow behaviour for which shear stress increases linearly with shear rate throughout. For MB and TA, the shear stress developed during rotor acceleration is larger than that produced during deceleration, and the corresponding flow curves enclose a hysteresis loop. As suspension pH increases, the pseudoplastic character decreases as does the amount of hysteresis. Above pH 7.5, flow approaches Newtonian and hysteresis is absent. Plots of Bingham yield value against pH at different ionic strengths (0.003, 0.03 and 0.3 м NaCl) intersect at pH 6.0 for MB and at pH 7.1 for TA. These values are identified with the point of zero charge (PZC) of the particle edge surface. The flow characteristics of halloysites may be explained in terms of the influence of particle shape, pH, electrolyte concentrations, and layer composition on particle interactions.
Electrical conduction of electrolyte solutions in nonpolar liquids

Certain nonpolar liquids, when doped with specific salts, are able to produce sustained and reproducible ion injections from one of the electrodes. Electronic transfer to the ionic pairs attached to the electrodes and the subsequent extraction of the free ions by the Schottky effect are the mechanisms responsible for this injection. The electrical conduction of these liquids is studied, using a recently proposed electric-field dependent law for the injection of ions and Onsager theory for the dissociation of ionic pairs in the bulk. Recombination is allowed between electrolytic ions and injected ions. The current-voltage characteristics predicted with this model have been presented in term of dimensionless parameters, so that an easy comparison with experiments can be done. Special attention has been paid to distinguish the contribution of the dissociation and the injection in the total current. The electric field distortion and the charge density at the injector has also been determined.