Miracle-dz/UniFAR-FTUs huggingface dataset:
Enthalpy Flux in Extreme Winds and the Roles of Sensible, Latent and Spray Heat Transfer Processes

Abstract : This project has been undertaken in the wind-wave facility at the Rosenstiel School of Marine and Atmospheric Science, University of Miami. (Air-Sea Interaction Saltwater Tank - ASIST). ASIST (http://www.rsmas.miami.edu/groups/asist/) has a working section of 1 m x 1 m x 15 m. The water depth can be selected up to 0.5 m and at this maximum depth the (centerline) wind speed can be selected between 0 and 30 m/s (equivalent to greater than 100 knots at 10 m height). At this maximum speed wave breaking is intense and the tops of the wave crests are blown into spume. The calorimetric use of the tank over the full range of wind speeds provides accurate estimates of the surface heat transfer. The approach is to heat or cool the water (using built in heat exchangers) by 2 to 5 C above/below the air temperature and observe the cooling/heating rate of the water body with 4 precision thermistors placed upstream and downstream in both air and water.
Determination of steroid hormones in sediments based on quick, easy, cheap, effective, rugged, and safe (modified-QuEChERS) extraction followed by liquid chromatography-tandem mass spectrometry (LC-MS/MS)

Hormones, constantly excreted by humans and animals, are discharged into surface waters via various routes including municipal and industrial sewage treatment plants and also animal agriculture and aquaculture. Many analytical methods have been studied, developed and used for the determination of hormones in the aqueous phase while the study of the particulate phase (suspended solids, sediment, and soil) was less developed due to more complex pre-treatment. This paper describes a simple, rapid and effective procedure based on modified-QuEChERS to analyze targeted hormones with very different chemical structures, from river sediments. We coupled this sample preparation method with LC-MS/MS for the detection and quantification, the whole method proposed is both selective and sensitive. Except for the more hydrophobic compound, the recoveries are higher than 74%. The repeatability is comprised between 2 and 36% and the intermediate precision is comprised between 4 and 30%, depending on the compound and the level. The method enables the determination of the target analytes with limits of detection comprised between 0.03 and 0.2 ng g−1 and limits of quantification comprised between 0.1 and 0.6 ng g−1. It is applied to the analysis of sediments collected at four points of the Bourbre river (Isere, France) and its tributary in October 2011. The results reveal the presence of estrone (up to >40 ng g−1) and tamoxifen in all the samples (≥0.6 ng g−1).
Ab initio study of the reaction path of the reaction HNCO+CN

We report ab initio UMP2 calculations of the reaction of CN with HNCO using 6-311G(d,p) basis sets. The obtained results show that the reaction has two product channels: HNCO＋CN→HCN＋NCO (1) and HNCO＋CN→HNCN＋CO (2). Channel (1) is a hydrogen abstraction reaction, which is a concerted process. The calculated potential energy barrier is 20.80 kJ/mol at UMP2(full)/6-311G(d,p) level. In the range of reaction temperature (1000―2100 K), the conventional transition theory rate constant for channel (1) ranges from 0.32×10 −11 to 6.9×10 −11 cm 3 ×mol −1 ·s −1 , which is close to the experimental value. Channel (2) is a stepwise re-action involving an intermediate during the process of reaction. The UMP2(full)/6-311G(d,p) potential energy barrier is 83.42 kJ/mol for the rate-controlling step, which is much higher than that of channel (1).
Microstructural study of synthetic sintered diamond and comparison with carbonado, a natural polycrystalline diamond

Abstract Efforts to simulate the extreme toughness of the polycrystalline diamond variety known as carbonado typically entail the sintering of diamond powders in the presence of metal solvent-catalysts. In this study, we have attempted to duplicate the carbonado microstructure by sintering diamond powders without catalysts in a multi-anvil press at pressures of 6 to 9 GPa, temperatures of 1200 to 1800 °C, and times up to 6 h. The resultant microstructural defect assemblages for each experimental condition were characterized by transmission electron microscopy (TEM). Despite the absence of catalysts, sintered compacts were successfully produced for all runs, though intergranular porosity was significantly higher than that observed in natural carbonado. Primary grain sizes were reduced by more than 50% from their original dimensions in some experiments due to surface fracturing and abrasion, and aperiodic slip planes rigorously parallel to {111} consistently emerged in high densities, with lamellar spacings of 3 to 30 nm. In addition, sintering over all conditions produced polysynthetic spinel twinning in close association with the partial slip defects. Compacts compressed at 8 GPa produced some euhedral crystals with very low dislocation densities surrounded by grains in which dislocation densities were quite high. In addition, curviplanar defects loosely constrained to {111} were visible within some specimens sintered at the highest pressures. These textures resembled the polygonalization fabrics and defect microstructures observed in natural carbonado (De et al. 1998), and the appearance of these features suggests that our experiments at their most extreme pressure and temperature parameters reproduced carbonado-like defect assemblages. The formation of such textures in quasi-hydrostatic experiments suggests that shock metamorphism is not required to produce the periodic defect lamellae observed in carbonado.
Kinetic spectrophotometric determination of β-adrenergic antagonists using alkaline potassium permanganate

A new simple and sensitive kinetic spectrophotometric method is described for analysis of bisoprololfumarate (BSF) and propranolol hydrochloride (PRH) in pure and pharmaceutical formulations. The method involves the reaction of the drugs with alkaline potassium permanganate producing bluish-green manganate species. The reaction was followed spectrophotometrically by measuring the increase in the absorbance from the formation of MnO4 2- at 610 nm. The different experimental parameters affecting the development and stability of the colors were carefully studied and optimized. The fixed-time method is adopted for constructing the calibration curves, which were found to be linear over the concentration ranges of 2.0-16g/mL for BSF and 2.0-18g/mL for PRH. The determination of the studied drugs by initial rate, variable time and rate-constant methods was feasible with the calibration equations obtained but the fixed time method has been found to be more applicable. The method has been successfully applied for the determination of drugs in commercial dosage forms. The results were validated through inter-day and intra-day precision assays according to the ICH guidelines and also through recovery studies. Statistical comparison of the proposed method with that of official methods shows excellent agreement and indicates no significant difference in their accuracy and precision.
Reactor concepts for atomic layer deposition on agitated particles: A review

The number of possible applications for nanoparticles has strongly increased in the last decade. For many applications, nanoparticles with different surface and bulk properties are necessary. A popular surface modification technique is coating the particle surface with a nanometer thick layer. Atomic layer deposition (ALD) is known as a reliable method for depositing ultrathin and conformal coatings. In this article, agitation or fluidization of the particles is necessary for performing ALD on (nano)particles. The principles of gas fluidization of particles will be outlined, and a classification of the gas fluidization behavior of particles based on their size and density will be given. Following different reactor concepts that have been designed to conformally coat (nano)particles with ALD will be described, and a concise overview will be presented of the work that has been performed with each of them ending with a concept reactor for performing spatial ALD on fluidized particles.
Catalytic wet air oxidation of m-cresol over a surface-modified sewage sludge-derived carbonaceous catalyst

Sewage sludge-derived carbonaceous materials (SW) treated with different kinds of acids were used as catalysts for catalytic wet air oxidation (CWAO) of m-cresol. The SW catalysts were characterized by XRF, XRD, FTIR, XPS and TPD-MS. The results showed that SW treated with HNO3 (HNO3-SW) exhibited the best catalytic activity. When the initial concentration of m-cresol was 5000 mg L−1, the conversion of m-cresol reached 99.0% with HNO3-SW after 90 min at 160 °C and 0.66 MPa oxygen. Continuous experiments were carried out for 8 d to investigate the durability and catalytic performance of HNO3-SW in CWAO reaction. Some correlation was observed between the conversion of m-cresol and the content of carboxyl groups, indicating that the carboxyl group might play a key role in determining the catalytic activity of SW catalysts in CWAO reaction. Based on the intermediate products identified by GC-MS, HPLC-MS, IC and HRMS analyses, the oxidation pathways of m-cresol in CWAO were proposed.
ANTICANCER ACTIVITIES OF THIOSEMICARBAZIDES/THIOSEMICARBAZONES: A REVIEW

There have been tremendous development in the chemotherapy of cancer and researches are still developing new and more effective drugs to combat this disease. Thiosemicarbazides and thiosemicarbazone possess a wide range of biological applications. This key biological role is often related with their capability to inhibit the enzyme ribonucleotide reductase, similar to what is observed with potent anticancer drugs such as triapine and methisazone. Recent studies have revealed that thiosemicarbazones can inhibit topoisomerase II enzyme. This review discusses current advances of an emerging ‘new wave’ of thiosemicarbazide/thiosemicarbazone and their metal complexes as potent anticancer agents, mode of action and toxicity caused by them.
Light trapping in pyramidally textured crystalline silicon solar cells using back‐side diffractive gratings

Back‐side diffractive gratings enhance a solar cell's efficiency by trapping light inside the cell and increasing the probability of absorption. We introduce a three‐dimensional, polarization‐sensitive optical model combining ray tracing and rigorous coupled‐wave analysis to investigate silicon solar cells with pyramidal front‐side texturing and back‐side gratings. Parameter optimization is performed to increase the short‐circuit current density for a linear binary grating with grating period p and height h. For the investigated 180‐µm‐thick pyramidally textured silicon solar cells, the simulation yields a maximum enhancement of the short‐circuit current density by ΔJSC = 1.79 mA/cm2 corresponding to an absolute efficiency increase of Δη = 0.90%. Furthermore, we report on fabrication and reflectance measurements of solar cells with gratings and key challenges in achieving efficiency gains using back‐side diffractive gratings. Copyright © 2012 John Wiley & Sons, Ltd.
Electrochemistry Investigation on the Graphene/Electrolyte Interface

In this study, the graphene/electrolyte interface was investigated in detail by the electrochemical method. The total interface capacitance was calculated from the electrochemical impedance spectroscopy (EIS) results, and its responses to different concentrations and pHs were also investigated. The minimum point of the capacitance was found to shift to right (vs. Ag/AgCl) as the concentration increased, and to left with increasing pH. As a comparison, gold/electrolyte interface was investigated in the same way, but didn’t show the similar behavior. To further explore the interface capacitance, proper models were proposed to fit the EIS results. Two constant-phase elements (CPE) were used in the graphene-electrolyte interface model to represent the double-layer capacitance (CPEdl) and the quantum capacitance (CPEq), respectively. The CPEq exhibited its sensitivity to concentration and pH, while CPEdl did not. This study gives a new aspect to detect concentration and pH, and may provide a reference for the graphene-based supercapacitor research.
Gibbs-Ensemble Molecular Dynamics: Liquid-Gas Equilibria for Lennard-Jones Spheres and n-Hexane

Abstract We present a novel method to simulate phase equilibria in atomic and molecular systems. The method is a Molecular Dynamics version of the Gibbs-Ensemble Monte Carlo technique, which has been developed some years ago for the direct simulation of phase equilibria in fluid systems. The idea is to have two separate simulation boxes, which can exchange particles (or molecules) in a thermodynamically consistent fashion. Here we pres the derivation of the generalized equations of motion and discuss the relation of the resulting trajectory averages to the relevant ensemble. We test this Gibbs-Ensemble Molecular Dynamics algorithm by applying it to an atomic and a molecular system, i.e. to the liquid-gas coexistence in a Lennard-Jones fluid and in n-hexane. In both cases our results are in good accord with previous mean field and Gibbs-Ensemble Monte Carlo results as well as with the experimental data in the case of hexane. We also show that our Gibbs-Ensemble Molecular Dynamics algorithm like other Molec.
Composite Polymeric Electrolytes from the PEODME−LiClO4−SiO2 System

It is shown that the addition of fumed silica to polymer electrolytes results in the formation of gel-like polymer materials. Despite the quasi-solid structure of these composite systems, compared to the liquid base poly(ethylene oxide) dimethyl ether (PEODME)−LiClO4 electrolyte, an increase in conductivity is observed for several salt concentrations of composite systems compared to that of the PEODME−LiClO4 electrolytes. For other salt concentrations, the conductivities of the composite systems are slightly higher or at least comparable to that measured for the unmodified electrolyte. At the lowest salt concentrations (e.g., 10-5−10-4 mol/kg PEODME), the conductivities of the PEODME−LiClO4 electrolyte are higher. This increase in conductivity is related to the reduction in the fraction of ion pairs as revealed by FT-IR experiments and Fuoss−Kraus-type analyses of the salt concentration dependence of the ionic conductivity.
Magnetic bead cellulose

Mangetic bead cellulose was prepared from viscose and ferrite powder by employing the suspension procedure using the thermal sol-gel transition. The particles thus obtained can be stirred if acted upon by an external rotary magnetic field of a common permanent magnet. Isolation of the particles from reaction suspensions should proceed in a thin layer using a strong magnetic field. Magnetic bead cellulose prepared from supermagnetic powder of the SmCoFe alloy shows a better behaviour in the magnetic field than ferrite materials. Magnetische Zellulosepartikel wurden aus Viskose und Eisenpulver mit einer den thermischen Sol-Gel-Ubergang nutzenden Suspensionsmethode hergestellt. Die so erhaltenen Teilchen konnen mit einem von ausen angelegten, rotierenden Magnetfeld eines ublichen Permanentmagneten durchmischt werden. Die Abtrennung der Partikel von der Reaktionssuspension sollte in einer dunnen Schicht des Materials durch ein starkes Magnetfeld erfolgen. Magnetische Zellulosepartikel, die mit einer SmCoFe-Legierung anstelle des Ferrits hergestellt wurden, besitzen bessere magnetische Eigenschaften.
Assessment of Groundwater Contamination by Toxic Metals in Ifo, Southwestern Nigeria

Twenty two wells were sampled in this regard and analyzed for pH, temperature, redox potential (RP), alkalinity, salinity, toxic metals such as cadmium (Cd), lead (Pb), iron (Fe) and zinc (Zn) using standard procedures. High trace metal concentrations were observed in most of the well water samples. Results showed that 50 % of the wells recorded values greater than WHO standard for Fe (0.06-0.59 mg/L), 41 % have Cd (0.000-0.010 mg/L) level higher than WHO standard while 82 % recorded high Pb (0.00-0.23 mg/L) levels greater than WHO standard in drinking water. Zinc values of the well water samples were generally low. The high values of Cd and Pb in most of the groundwater samples is harmful to human health and calls for necessary cautions by the public before consuming the water. The study therefore, recommends proper purification methods that will remove the toxic metals and further minimize their nefarious ill-effects on humans.
Polymer brush functionalized SiO2 nanoparticle based Nafion nanocomposites: a novel avenue to low-humidity proton conducting membranes

Polyelectrolyte membranes showing proton conductivity at moderate levels of relative humidity and temperatures are essential for the development of polyelectrolyte membrane fuel cells (PEMFCs). Herein, monomethoxy oligoethylene glycol methacrylate derived polymer brush functionalized silica nanoparticles (SiO2 NPs) are presented as humidifying-nanoadditives for the fabrication of Nafion nanocomposite membranes, exhibiting improved proton conductivities at moderate levels of relative humidity and temperatures. Polymer brush functionalized SiO2 NPs (SiO2-polymer-brush), fabricated via surface initiated atom transfer radical polymerization (SI-ATRP), are dispersed in the Nafion resin solution, and nanocomposite membranes (Nafion/SiO2-polymer-brush) are fabricated via solution casting. For comparison, composite membranes of Nafion are also prepared with bare SiO2 NPs. Spectroscopic measurements confirm the presence of polymer brushes in the final membranes and demonstrate increased water uptake in membranes with polymer brush-functionalized nanocomposite membranes. Electrochemical impedance analyses reveal that 1 wt% of functionalized SiO2 NPs is sufficient to achieve Nafion nanocomposite membranes with superior proton conductivities at ambient and moderately high temperatures over the entire range of relative humidity (RH). This study presents a facile avenue to membranes with superior proton conductivities under moderate levels of RH and temperature, and provides important insights into the scope of nanocomposite PEMs for fuel cell applications.
CO2 Laser Induced Structural Changes of Dental Enamel

iv Chapter 1 Dental enamel and calcium phosphate 1.1 Tooth and enamel 1 1.1.1 Histological structural components of teeth 1 1.1.2 Chemical structure of teeth 2 1.1. 3 Enamel formation 3 1.2 Enamel apatite 4 1.2.1 Structure of hydroxyapatite 4 1.2.2 Substitution of hydroxyapatite 7 1.2. 3 Structure of enamel apatite 9 1.2. 4 Other related calcium phosphate minerals 10 Chapter 2 Dental lasers: background and application 2.1 Laser application in dental practice 15 2.1.1 Diagnostic laser applications 15 2.1.2 Photochemical laser effects 16 2.1. 3 Laser applications in the dental laboratory 17 2.1. 4 Laser procedures on dental hard tissues 18 2.1. 5 Soft tissue laser procedures 20 2.1. 6 Other applications 21 2.2 Types of lasers 21
Plant drug analysis : a thin layer chromatography atlas

Alkaloid Drugs. - Drugs Containing Anthracene Derivatives. - Bitter Drugs. - Cardiac Glycoside Drugs. - Coumarin Drugs. - Drugs Containing Essential Oils (Aetherolea), Balsams and Oleo-Gum-Resins. - Flavonoid Drugs Including Ginkgo Biloba and Echinaceae Species. - Drugs Containing Arbutin, Salicin and Salicoyl Derivatives. - Drugs Containing Cannabinoids and Kavapyrones. - Drugs Containing Lignans. - Drugs Containing 1,4-Naphthoquinones Droserae herba, Dionaeae herba. - Drugs Containing Pigments. - Drugs with Pungent-Tasting Principles. - Saponin Drugs. - Drugs Containing Sweet-Tasting Terpene Glycosides. - Drugs Containing Triterpenes. - Drugs Containing Valepotriates (Valerianae radix). - Screening of Unknown Commercial Drugs. - Thin-Layer Chromatography Analysis of Herbal Drug Mixtures.
SOLVENT SUBLATION: THEORY AND APPLICATION

The solvent sublation technique, one of adsorption bubble separation techniques, is initially proposed by Sebba[1] as an option for ion flotation, in which the material adsorbed on the surface of ascending bubbles and then collected by a solvent in the column upper zone. The technique has advantage over ion flotation or solvent extraction, so it has attracted many attentions in the wastewater treatment and the recovery of many metals. But as to now, the review on the solvent sublation is very sparse. The present paper reviews the theory and application in the solvent sublation.
Infrared characterization of natural and cultured quartz: The effect of electrodiffusion and irradiation

A study of OH−‐related stretching vibrations showing infrared absorption bands in natural and cultured quartz has been made to include the effect of exchange of monovalent ions and irradiation at 77 and 300 K using 1.75‐MeV electrons from a Van de Graaff accelerator. A variety of natural quartz crystals of different origins from Brazil and Arkansas used in the present investigation is found to contain a large number of absorption bands of uncorrelated strength in the 3200–3600 cm−1 region in the near infrared. Most of these bands are found to be associated with the presence of Li+ ions. Studies on samples of matching thickness from different cultured quartz specimens show that the bands present in the natural quartz do not get transferred to cultured quartz during their growth. While cultured quartz has always a set of bands at 3350, 3400, 3437, and 3581 cm−1, called s1, s2, s3, and s4, the set of major bands found to be present in all natural quartz are 3476 cm−1 (designated in the present work as the N1.
A case study for micro‐grid PV: lessons learned from a rural electrification project in India

Micro‐grids in developing countries present a significant application opportunity for photovoltaics (PV) as an energy‐enabling technology. The authors project 10 GW for this application in the next decade. The growth of this sector will be enhanced by shared learning of the best practices. The authors are part of a team that successfully installed 1/3 MW in micro‐grids and presented the lessons learned and a useful methodology for determining key metrics. The PV is part of the rural electrification in India and is representative of current global PV micro‐grids. This project provides basic lighting and electricity for 57 villages in Visakhapatnam in India. The project was carried out with a goal of optimizing power against cost. Various metrics are presented: costs, time, operations and maintenance, and performance. Also discussed are implementation strategies for cost containment, stakeholder considerations, and post‐install support and user payment collection. Learning points are presented on project execution, engagement of local people, and challenges addressed. The aspect of demand capacity level (hours of availability) is examined in more detail, with modeling being performed to identify an optimal approach to increasing the level given the cost constraints. The combination of real data and modeling is a useful approach for PV and micro‐grid optimization. This case study quantitatively supports the value of the use of PV for rural electrification. Beyond this example in India, where the federal government is planning an increase to more than 2000 sites, there is a significant opportunity for PV in the global micro‐grid electrification context. Copyright © 2013 John Wiley & Sons, Ltd.
Fine pattern lithography using a helium field ion source

Despite the many reports on characteristics of hydrogen field ion (FI) sources, there have been only a few reports on focusing experiments. We developed a stable helium FI source and a focusing column with a gimbal assembly for beam axis alignment, and carried out focusing experiments. Scanning ion microscope images of a Au wire were observed using the focusing column. From the image resolution, the ion probe diameter was estimated to be ∼200 nm. We exposed a 260‐nm‐thick polymethylmethacrylate resist on a Si substrate, which produced 200‐nm‐wide lines. A 70‐nm‐wide space was also formed. The proximity effect was negligible even if the space between the lines was 100 nm. Thus, we confirmed that a helium FI source is suitable for fine pattern lithography.