Miracle-dz/UniFAR-FTUs huggingface dataset:
Development Of The Universal Extraction (Unex) Process For The Simultaneous Recovery Of Cs, Sr, And Actinides From Acidic Radioactive Wastes

A synergistic extraction mixture containing chlorinated cobalt dicarbollide (CCD), polyethylene glycol (PEG), and diphenyl-N,N-dibutylcarbamoyl phosphine oxide (CMPO) in a suitable polar diluent is being developed for the simultaneous recovery of Cs, Sr, and the actinides from highly acidic radioactive wastes. Development of this UNEX process was by a successful collaboration between scientists from the Idaho National Engineering and Environmental Laboratory (INEEL) and the Khlopin Radium Institute (KRI) in St. Petersburg, Russia. Development efforts focused on the treatment of radioactive waste currently stored at the INEEL. The development of the UNEX process has and continues to be an evolutionary process. Numerous countercurrent flowsheet demonstrations have been conducted to date, including two tests with several liters of actual radioactive tank waste, one test with dissolved radioactive calcine, and several tests with surrogate INEEL tank and dissolved calcine wastes. All countercurrent flowsheet tests have been performed in banks of centrifugal contactors. Removal efficiencies of 99.95% for 137Cs, 99.995% for 90Sr, and 99.96% for total α (predominately 241Am, 238Pu, and 239Pu) were observed in countercurrent tests with samples of actual INEEL tank waste. The evolutionary concepts included in the development of the UNEX process are discussed, including development of the current diluent, phenyltrifluoromethyl sulfone, to replace nitroaromatic diluents used in earlier studies. Results from the most recent countercurrent flowsheet testing with 1.2 L of actual dissolved INEEL calcine are also presented, which represents the current state of UNEX development. Finally, future research directions in the development and understanding of the UNEX process are discussed. #The submitted manuscript has been authored by a contractor of the U.S. Government under contract No. DE-AC09-96SR18500. Accordingly, the U.S. Government retains a non-exclusive, royalty-free license to publish or reproduce the published form of this contribution, or allow others to do so, for U.S. Government purposes.
Preparation and Characterization of Triamcinolone Acetonide-loaded Poly(3-hydroxybutyrate-co-3-hydroxyhexanoate) (PHBHx) Microspheres

Triamcinolone acetonide loaded in poly(3-hydroxybutyrate-co-3 hydroxyhexanoate) (PHBHx) microspheres were prepared to treat cystoid macular oedema (CMO) and acute posterior segment inflammation associated with uveitis. The PHBHx microspheres were prepared by solvent evaporation technique using methylene chloride as the solvent and aqueous poly(vinyl alcohol) emulsifier as the dispersion medium. The PHBHx microspheres obtained were well formed with narrow size distribution; the average size prepared ranged from 40—200 μm depending on the formulation used. The stirring rate of the dispersion medium, emulsifier concentration, and polymer/solvent ratio parameters were varied to determine their effect on the size and size distribution of the PHBHx microspheres. Increasing the stirring rate and emulsifier concentration decreased the size and the size distribution of the microspheres, while increasing the polymer/solvent ratio caused the opposite effect. The polymer/drug ratio was the most effective parameter for controlling drug loading and release properties. More than 90% of the loaded drug was released within the first 24 h; after that, the release rate was slower for all formulations.
Disjunctive Programming Models for the Optimal Design of Distillation Columns and Separation Sequences

A disjunctive programming model is presented for the design of ideal and nonideal distillation columns in which the feed tray location, number of trays, and operating and design parameters are determined. The proposed model is based on the identification and application of MESH equations for conditional trays in order to reduce the size of the nonlinear subproblems and to increase robustness. A logic-based outer approximation algorithm is proposed to solve the problem, where the mixed-integer linear programming (MILP) master problem based on the convex hull formulation of disjunctions is replaced with a big-M formulation. The algorithm is also modified with the introduction of two initialization schemes and the inclusion of convex envelopes to improve lower bounding in the MILP master problem. It is shown that the combination of a disjunctive model and the appropriate logic-based solution algorithm can greatly improve the robustness of the design procedure. The proposed disjunctive column model is extende.
Soil microbial activity along an arctic‐alpine altitudinal gradient from a seasonal perspective

The knowledge on dynamics of soil microbial activity and its correlation to climate and vegetation is still poor but essential for predicting climatic changes scenarios. Seasonal dynamics of soil microbial activity and cell counts were studied along an arctic‐alpine altitudinal gradient. The gradient comprised 12 ridges from 1000 to 1600 m altitude. Soil samples were collected during March, May, July and September 2005. The effect of temperature, snow depth and vegetation, all of which changed with altitude, on soil microbial activity and bacterial cell counts was analysed. The potential activities of phosphatase and chitinase were determined using fluorescent 4‐methylumbelliferyl labelled analogues. Total and live bacterial cell counts were determined by live‐dead‐staining. We detected marked differences in soil microbial variables along the altitudinal gradient, forming three major clusters: a low alpine belt, a middle alpine belt, and an intermediate transition zone. Our results demonstrated that more frequent occurrence of shrubs and bryophytes would also increase microbial activity. Furthermore, we detected a clear relation (R2 = 0.6; P < 0.02) between high soil temperatures and greater soil microbial activity during summer. As higher temperatures are predicted to promote shrubs and higher humidity to promote bryophytes we expect microbial activity in dry heath tundra soils will increase with anticipated warmer, and in the case of Scandinavia, more humid climates. We did not find winter microbial activity to be less at snow‐free sites than at sites covered by snow up to depths of 30 cm; hence, possible future decreases in snow depth will not result in reduced winter microbial activity. We demonstrate that shrubs support winter microbial activity not only by trapping snow but also directly by increasing the amount of organic carbon.
Ozonation of Polycyclic Aromatic Hydrocarbons in Water Solution

ABSTRACT The degradation of three polycyclic aromatic hydrocarbons (PAHs): benzo[a]pyrene (BAP), chrysene (CHR), and fluorene (FLU) in aqueous solution using ozone was investigated. The influence of pH of the reaction mixture, ozone concentration, and the presence of a radical scavenger on the reaction rate was determined. The highest rate of PAHs disappearance was achieved in acidic solutions. The radical scavenger, tert-butanol, effectively inhibited the rate of PAHs destruction. The rate constants of direct reaction of PAHs with ozone were calculated and they were equal to (3.32 ± 0.21) × 104; (1.10 ± 0.15) × 104 and 44.8 ± 1.1 M−1s−1 for BAP, CHR, and FLU, respectively. The contributions of direct ozonolysis, and radical reaction to PAHs oxidation in ozonation processes, were evaluated.
Reply to Comment on: Reversible multiple time scale molecular dynamics

In response to the comment by Toxvaerd [J. Chem. Phys. 99, XXX (1993)], it is shown that two simple integrators, position Verlet and velocity Verlet, derived as introductory examples give rise to distinct trajectories. Leap‐frog forms are derived for the integrators and using operator algebra the true relationship between the two trajectories are determined. The trajectories do not diverge as a function of time but mirror each other. This was not pointed out in the original paper but it is presented here in response to the comment. The simpler analysis of the Toxvaerd comment does not correctly define this relationship and incorrectly implies that the two methods generate identical trajectories.
Essential Oil Composition of Four Iranian Nepeta Species (N. cephalotes, N. bornmuelleri, N. mirzayanii and N. bracteata)

Abstract Essential oils from aerial parts of Nepeta cephalotes Boiss. , N. bornmuelleri Hausskn. ex Bornm. , N. mirzayanii Rech. f. et Esfand. and N. bracteata Benth. were obtained by hydrodistillation. The oils were analyzed by capillary gas chromatography, using fame ionization and mass spectrometric detection. Eight components were identified in the oil of N. cephalotes with 4aα,7α,7aα-nepetalactone (90.1%) and β-pinene (7.5%) as main constituents. Twenty-eight compounds were identified in the oil of N. bornmuelleri with 4aβ,7α,7aβ-nepetalactone (64.0%) and 1,8-cineole (7.1%) as main components. Twenty-two compounds were characterized in the oil of N. mirzayanii with 4aα,7α,7aα-nepetalactone (61.0%) and caryophyllene oxide (7.8%) as main constituents. Twenty-eight compounds were characterized in the oil of N. bracteata with spathulenol (14.0%), caryophyllene oxide (12.3%), bicyclogermacrene (11.4%) and β-caryophyllene (11.2%) as main constituents. The results showed the nepetalactone isomers were the main components of the oils of N. cephalotes, N. bornmuelleri and N. mirzayanii. The oil of N. bracteata consisted of mainly of sesquiterpenes, while nepetalactone was not detected in this oil.
Acentric and chiral four-connected metal–organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid

By modulating the synthetic strategy based on changing substituents on the ligand and solvent used in the synthesis, a series of metal organic frameworks (MOFs) of two chiral binaphthol-like ligands of 4-(1H-imidaozol-1-yl)benzoic acid (HIBA) and 4-(1H-2-methylimidazol-1-yl)benzoic acid (HMIBA) with various interpenetrating topologies have been synthesized under solvothermal conditions: Zn(IBA)2 (1), Co(IBA)2 (2), Cd(IBA)2·H2O·1.7DMF (3), Cd(MIBA)2·H2O·1.3DMF (4), Co(MIBA)2·H2O·1.3DMF (5) and Cd(MIBA)2·0.5H2O·1.2DMA (6) (DMF = N,N-dimethylformamide and DMA = N,N′-dimethylacetamide). X-ray diffraction study reveals that compounds 1 and 2 crystallize in tetragonal crystal system with chiral space groupsP4122 and P4322, respectively, indicating that they are a pair of structural enantiomers, having a twofold interpenetrating (4,4)-net. Compound 3 crystallizes in orthorhombic crystal system and non-centrosymmetric space group Pca21, which can be defined as an abnormal fourfold [2 + 2] interpenetrating diamond net. The isostructural compounds 4 and 5 crystallize in tetragonal crystal system and space group P4212, representing a chiral structure and a normal mode of fourfold interpenetrating diamondoid net. Compound 6 crystallizes in non-centrosymmetric space group Aba2 and exhibits a normal mode of fourfold diamondoid interpenetrating net.
Exhaled Nitric Oxide in Occupational Respiratory Medicine and Environmental Health: State of Art

Nitric oxide is a gas detectable in exhaled breath of humans and is recognized as a useful biomarker for asthma diagnosis and monitoring. Several studies have shown evidence of higher levels of exhaled nitric oxide in patients with respiratory diseases as compared with the healthy population. The possibility of using exhaled nitric oxide measurement as a tool for diagnosing and monitoring occupational exposures to allergic or toxic irritants is reviewed and discussed.
INFLUENCE OF RAINFALL INTENSITY AND CROP RESIDUE ON LEACHING OF ATRAZINE THROUGH INTACT NO‐TILL SOIL CORES

Pesticide leaching may be affected by rainfall parameters and the amount and type of vegetation on the soil surface. This study was conducted to determine the effect of rainfall intensity and crop residue on the movement of [ring-14C]atrazine (2-chloro-4-ethylamino-6-isopropylamino-s-triazine) and bromide (Br) through no-till (NT) cores. Undisturbed soil cores (10 cm diameter by 8 cm depth) were taken from the surface horizon of a NT corn (Zea mays L.) field. The cores were surface treated with 1.3 kg ai ha−1 atrazine and 150 kg ha−1 of Br and subjected to simulated rainfall at 3, 6, 9, or 12 mm h−1. The amount of crop residue on the surface of another set of soil cores was adjusted to 0, 2000, 4000, and 8000 kg ha−1, then treated with atrazine and subjected to 9 mm h−1 of simulated rain. Overall, the transport of atrazine and Br were significantly (P < 0.01) affected by rainfall intensity. An average of 92% (Br) and 52% (atrazine) of the total amount applied was leached through the soil cores by 2 pore volumes (520 ml) of simulated rain applied at 12 mm h−1 compared with 61% for Br and 33% for atrazine at the 3-mm h−1 rate. Covering soil cores with 2000 or 8000 kg ha−1 of crop residue reduced atrazine leaching by 26 to 37%, respectively, compared with soil cores without crop residue. Soil cores covered with recently harvested vegetation reduced atrazine leaching by 39% compared with cores covered with aged crop residue.
Contaminant Removal Processes in Subsurface-Flow Constructed Wetlands: A Review

The main contaminant removal processes occurring in subsurface-flow constructed wetlands treating wastewater are reviewed. Redox conditions prevailing in the wetlands are analyzed and linked to contaminant removal mechanisms. The removal of organic matter and its accumulation in the granular medium of the wetlands are evaluated with regard to particulate and dissolved components and clogging processes. The main biological processes linked to organic matter transformation—aerobic respiration, denitrification, acid fermentation, sulfate reduction, and methanogenesis—are reviewed separately. The processes of removal of surfactants, pesticides and herbicides, emergent contaminants, nutrients, heavy metals and faecal organisms are analyzed. Advances in wetland modeling are presented as a powerful tool for understanding multiple interactions occurring in subsurface-flow constructed wetlands during the removal of contaminants.
High Efficiency in Energy Generation from Salinity Gradients with Reverse Electrodialysis

Renewable energy can be captured from the mixing of salt and fresh water in reverse electrodialysis. This paper investigates the energy efficiency of this process for feed waters that pass a reverse electrodialysis cell once and waters that pass multiple cells or electrode segments. So far, the maximum theoretical energy efficiency was considered to be 50% when the feed waters pass a single cell once; significantly higher efficiencies could only be obtained when the waters were recirculated or passed multiple electrodes. In this study, we show that the ion transport corresponding to the obtained energy and the electromotive force mutually influence each other, which enables capture of more than 50% (even up to 95%) of the theoretical energy, even when the feedwater streams pass a reverse electrodialysis cell only once.
Wettability of Chitosan Coating Solution on‘Fuji’ Apple Skin

: Wettability of chitosan coating solutions on‘Fuji’ apple skin in different surfactant concentration (Tween 80: 0, 10, 100, 1000 ppm) was investigated using the Du Nouy ring method and the sessile-drop method. The surface property of‘Fuji’ apple skin as a coated solid surface was characterized by the Zisman plot. The critical surface tension of‘Fuji’ apple skin was 18.7 dyne/cm. The surface tension of the chitosan coating solution was too high (61.5 dyne/cm) to wet the apple skin. Tween 80 as surfactant in water-borne coatings reduced the surface tension of the coating solution and enhanced its wettability. Surface morphology of the coated film was observed by scanning electron microscope. Surfactant driven autophilicity improved the adhesive force between coating solution and associative apple skin, and decreased the contact angle of coating solution.
Physicochemical properties of taro and maize starch and their effect on texture, colour and sensory quality of tomato ketchup

The physicochemical properties of starch from local cultivar of taro from North-Eastern region of India, known as Panchamukhi (Colocasia esculenta var. antiquorum) were compared with maize starch. Both starches presented A-type XRD pattern. The granule size of Panchamukhi taro starch was in the range of 2.19–4.28 µm, which was smaller, compared to maize starch granules (7.38–16.67 µm). Swelling and solubility of Panchamukhi taro starch were found to be higher compared to maize starch. The pasting profile of the starches showed that Panchamukhi starch had lower final viscosity (FV; 2940 cP) and setback viscosity (SV; 826 cP) compared to maize starch (FV of 3878 cP and SV of 1529 cP). The peak gelatinization temperature (Tp) of Panchamukhi taro starch was 74.36°C, which was significantly higher than Tp of maize starch (69.70°C). The incorporation of the starches during preparation of ketchup showed that both starches improved the texture. The colour of the ketchup was not affected by incorporation of starch up to 2% concentration. The sensory evaluation revealed that ketchup prepared using Panchamukhi taro starch was better than the control sample and was comparable to the ketchup prepared using maize starch.
Band gap control via tuning of inversion degree in CdIn2S4 spinel

Based on theoretical arguments, we propose a possible route for controlling the band-gap in the promising photovoltaic material CdIn2S4. Our ab initio calculations show that the experimental degree of inversion in this spinel (fraction of tetrahedral sites occupied by In) corresponds approximately to the equilibrium value given by the minimum of the theoretical inversion free energy at a typical synthesis temperature. Modification of this temperature, or of the cooling rate after synthesis, is then expected to change the inversion degree, which in turn sensitively tunes the electronic band-gap of the solid, as shown here by screened hybrid functional calculations.
Far Infrared Rays Drying Characteristics of Tissue Cultured Mountain Ginseng Roots

This study was conducted to investigate the drying characteristics of tissue cultured mountain ginseng roots. The far infrared rays dryer of a double blast system used for this experiment can control the drying parameters such as far infrared heater temperature and air velocity. The far infrared rays drying tests of tissue cultured mountain ginseng roots were performed at air velocity of 0.4, 0.6, 0.8 m/s, under drying air temperature of 50, 60, and , respectively. The results were compared with one obtained by the heated air drying method. The drying characteristics such as drying rate, color, energy consumption, saponin components and antioxidant activities were analyzed. The results showed that the drying rate of far infrared rays drying was faster than that of heated air drying and due to high temperature of drying air and fast air velocity, the far infrared rays drying of double blast type was superior to the heated air drying. The value of the color difference for heated air drying was 10.1112. 99 and that of far infrared rays drying was in the range of 7.057. 54, which was in the same drying condition, also energy consumption of far infrared rays drying was in the range of 35756898 kJ/kg-water. At the same time, the antioxidant activities using far infrared rays drying were higher than those using heated air drying.
Phase relations in the Au-Ag-Te systems and their mineralogical significance

By X-ray and microscopic techniques, equilibrium relations were determined in the presence of vapor at 290 degrees , 335 degrees , and 355 degrees C, and changes in assemblages studied from about 50 degrees to 800 degrees C. A new ternary eutectic at about 304 degrees C has the approximate composition 50 percent Au, 15 percent Ag, 35 percent Te (wt. percent). Krennerite, a single mineral entity with the approximate formula Au 4 AgTe 10 , is stable up to its incongruent melting at about 382 degrees C. Sylvanite melts incongruently at about 354 degrees C. Hessite and petzite each have three polymorphs.
Effect of Storage on Essential Oil Content and Composition of Rosa damascena Mill. Petals under Different Conditions

Abstract Damask rose (Rosa damascena Mill.) is the most important Rosa species for rose oil production in the world. In the factories, petals of rose are harvested and distilled to produce rose oil and rose water. Petals collected at large quantities in the mornings can not be distilled all together, so some petals undergo varying degrees of fermentation during storage. Therefore, we intend to find ways or methods of preserving petals without undergoing fermentation until distillation. Four storage conditions including storage at −20°C, 10°C, in water at 7°C and −20°C were evaluated. The essential oil content of petals was obtained by hydro-distillation using a Clevenger apparatus. The oils were analyzed by capillary gas chromatography, using flame ionization and mass spectrometry detection. Results indicated that the essential oil content was considerably affected by storage condition and duration. The best results was obtained from petals frozen at low temperatures (−20°C); it makes possible to preserve petals for three weeks without any considerable changes in the oil content and composition. For petals stored at 10°C, the percentage of monoterpene alcohols (citronellol, geraniol, nerol, linalool and phenylethyl alcohol) decreased in comparison to the control (unstored) petals, whereas it increased for other stored groups. Regarding the oil content, an increase was observed in most of results.
Avaliação de macro e microminerais em frutas tropicais cultivadas no nordeste brasileiro

Brazil has great importance in the fruits market; however, data on the composition of Brazilian tropical fruits, mainly of those produced in the Northeast region, is scarce. In the present study, it was determined the macro- and micro-minerals of 11 tropical fruits cultivated in the Northeast of Brazil: pineapple, sweetsop, soursop, jackfruit, papaya, mangaba, murici, sapodilla, ciruela, tamarind, and umbu. The samples were dehydrated and mineralized in HNO3/HClO4 (3:1) solution. The minerals Ca, Mg, Mn, Zn, Fe, Co, Se and Ni were analyzed by atomic absorption spectrophotometry; Na and K by flame photometry; and P by the colorimetric method. The results indicated that tamarind is a rich source of all minerals available, especially of Mg, Cu and K, in addition to being a good source of Ca, P, Fe, and Se. Among the minerals evaluated in this study, K presented the highest content, followed by Ca and Mg. Sweetsop, soursop, sapodilla, and murici are good sources of two or more minerals. High correlations were obtained between K and the minerals P, Co, and Fe and between Co and Fe. Therefore, the consumption of the studied tropical fruits is suggested as an assistant to the reposition of mineral nutrients.
Synthesis and conformation of procyanidin diastereoisomers

The four theoretically possible diastereoisomeric 4 → 8 linked procyanidin dimers with two 2,3-cis-flavanoid units, epicatechin-(4β→ 8)-epicatechin (6), epicatechin-(4β→ 8)-ent-epicatechin (8), ent-epicatechin-(4α→ 8)-epicatechin (7), and ent-epicatechin-(4α→ 8)-ent-epicatechin (2), have been synthesized together with the 2,3-trans diastereoisomers catechin-(4α→ 8)-catechin (14) and catechin-(4α→ 8)-ent-catechin (15). The preferred rotamer conformations of the deca-acetate derivatives of (6), (8), (14), and (15) in chloroform were deduced from their 13C n.m. r. and high-field 1H n.m. r. spectra. The 1H n.m. r. spectra of the preferred conformers of the pairs of acetate derivatives of (6) and (15), and (8) and (14), were qualitatively similar as the relative configuration about the interflavanoid bond of one pair has a meso-relationship to the other.