Miracle-dz/UniFAR-FTUs huggingface dataset:
The Swelling of Clays: Molecular Simulations of the Hydration of Montmorillonite

The swelling of clay minerals on contact with an aqueous solution can produce strong adverse effects in the exploration and production of gas and oil. Molecular dynamics and Monte Carlo simulations were used to study the mechanism of swelling of sodium-montmorillonite. The simulations showed that the abundant clay mineral has four stable states at basal spacings of 9.7, 12.0, 15.5, and 18.3 angstroms, respectively. The amount of swelling and the locations of the stable states of sodium-montmorillonite are in good quantitative agreement with the experimental data.
Augmenting yield and urea-nitrogen utilization efficiency in wheat through use of natural essential oils and dicyandiamide-coated urea in light-textured soils of central Uttar Pradesh

A field study was conducted to compare the efficiency of Dicyandiamide (DCD)-coated urea with some natural essential oil and their derivatives viz. Mentha spicata oil, dementholized oil (DMO) and terpenes coated urea on wheat (Triticum aestivum L.) yield, nitrogen (N) uptake, and apparent N recovery on a sandy loam soil of Central Uttar Pradesh, India, where excessive loss of N due to NO3 leaching is a serious problem due to its light texture. Significant increase in grain and straw yield, N uptake, and apparent N recovery was observed on application of these nitrification inhibitors. However, their performance varied with the percentage used: it was higher with the higher level of application. All the three natural coating materials retarded nitrification significantly, throughout the growth period of wheat as compared to DCD coated urea as well as uncoated urea treated soil. Apparent N recovery by wheat with the application of these materials at 0.50% (v/w) level of coating on urea were 29.61%, 27.27%, and 22.73% with DMO, M. spicata oil and terpenes, respectively. Corresponding values at 1.00% (v/w) level of coating were 47.01%, 38.68%, 23.24%, respectively. With DCD coated urea (at 1.00% level of coating, w/w basis) it was 33.13%, while the corresponding value with uncoated urea was 22.78%. Economic analyses were done for the use of these natural coating materials for wheat cultivation. Benefits obtained from the use of DMO, M. spicata oil and terpenes at 0.50% level of coating were Rs. 5,210 ha−1, Rs. 1,400 ha−1, and Rs. 450 ha−1, respectively. While at 1.00% level of coating, corresponding profits were Rs. 9,040 ha−1, Rs. 4,570 ha−1, and Rs. 575 ha−1, respectively. Benefit obtained from the use of DCD at 1.00% level of coating was Rs. 1,005 ha−1.
A methodology for establishing phytotoxicity criteria for chromium, copper, nickel, and zinc in agricultural land application of municipal sewage sludges

This study illustrates a methodology of evaluating phytotoxicity criteria for metals, when sewage sludges are applied on cropland. The analyses are based on data available in technical literature and fundamental principles of soil fertility and plant nutriton. First, data from laboratory experiments, where plants were grown in media treated with only one metal element, were used to develop an empirical cause-and-effect relationship between metal concentration in plant tissue and growth retardation of plants []
Synthesis, Structures, and Properties of Zinc(II) and Cadmium(II) Complexes with 1,2,4,5-Tetrakis(imidazol-1-ylmethyl)benzene and Multicarboxylate Ligands

Five new coordination polymers, namely, [Cd(L)0.5(HBTC)]·0.2H2O (1), [Cd3(L)2(BTA)2(H2O)2]·H2O (2), [Cd2(L)0.5(BTEC)]·H2O (3), [Zn3(L)(BTC)2(H2O)2]·3H2O (4), and [Zn2(μ2-OH)(L)0.5(BTA)]·H2O (5) were synthesized under hydrothermal conditions by reactions of corresponding Cd(II) or Zn(II) salts with the mixed multidentate ligands of 1,2,4,5-tetrakis(imidazol-1-ylmethyl)benzene (L) and 1,3,5-benzenetricarboxylic acid (H3BTC), 1,3,5-benzenetriacetic acid (H3BTA), 1,2,4,5-benzenetetracarboxylic acid (H4BTEC), respectively. The complexes were characterized by single crystal X-ray diffraction, IR, and thermogravimetric and elemental analyses. The Cd(II) complex 1 is a two-dimensional (2D) network with infinite one-dimensional (1D) Cd-HBTC2− chains linked together by L ligands, while the Zn(II) complex 4 with the same mixed ligands has a three-dimensional (3D) structure. The Cd(II) complex with BTA3− and L ligands (2) features an unusual 3D framework, and the Zn(II) complex 5 shows a 3D structure with (63)2(42,84.
Nitrotoluenesulfonic acid : UV, IR, and NMR properties and rate studies of wet air oxidation

Environmental fate of aromatic sulfonates is relatively unknown. We report the findings of wet air oxidation (WAO) of several sulfonic compounds, specifically 5-nitro-o-toluenesulfonic acid (NTSA). WAO is effective in the oxidation of NTSA, a compound similar in structure to dinitrotoluenesulfonates which are major components of TNT red water. The WAO reaction is first-order with respect to NTSA; the order with respect to oxygen pressure is 0.6. The activation energy is approximately 21 kcal/mol. The reaction rate is significantly enhanced with the addition of 5 mg/L Cu(II) catalyst. The effect of initial pH on rate of NTSA oxidation is complex. Higher reaction rates are observed both at low and high pH's, with a better overall rate being achieved at low pH. Some properties of NTSA (e.g., UV, IR, and NMR) were obtained to provide additional information
Synthesis of Microporous Inorganic−Organic Hybrids from Layered Octosilicate by Silylation with 1,4-Bis(trichloro- and dichloromethyl-silyl)benzenes

Crystalline microporous inorganic−organic nanohybrids were synthesized by pillaring layered octosilicate with 1,4-bis(trichlorosilyl)benzene or 1,4-bis(dichloromethylsilyl)benzene. The silylating agents were preferentially bridged between the layers of octosilicate, resulting in the formation of microporous hybrids with BET surface areas of ∼500 m2/g. The trichlorosilyl or dichloromethylsilyl groups were regularly grafted with confronting two Si−OH groups on the same octosilicate surface, and each reacted group possessed one unreacted site (chloro or methyl group). The micropores derived from 1,4-bis(trichlorosilyl)benzene showed a hydrophilic nature due to remaining Si−OH groups after hydrolysis of chlorosilyl groups, whereas those derived from 1,4-bis(dichloromethylsilyl)benzene showed a hydrophobic nature. The difference affected the phenol adsorption behavior from dilute aqueous solutions.
Angiographic correlates of blood loss in endoscopic excision of juvenile nasopharyngeal angio-fibroma

Objective: To evaluate the angiographic findings with relation to intraoperative blood loss in a series of juvenile nasopharyngeal angiofibroma (JNA) operated endoscopically. Methods: Retrospective chart review of clinical, angiographic and operative details was done of all consecutive patients of Radkowski grade IIC or IIIA JNA who had undergone superselective polyvinyl alcohol (PVA) particle embolisation of external carotid artery (ECA) feeders in single session followed by endoscopic excision during the period of August 2014 to March 2019. Results: 22 cases (14.7 ± 2.7 years, range 10 - 24 years) with mean tumour size 6.7 cm (5.8–12.5 cm range) were identified. 15/22 cases had bilateral ECA territory blood supply and 7/22 had additional supply from internal carotid artery (ICA) branches. Mean tumour devascularisation was 60% (50–100% range) and intraoperative blood loss was 362ml ± 176.2ml (range 50 ml - 1500 ml). Isolated unilateral or bilateral internal maxillary artery (IMA) and/or ascending pharyngeal artery (AscPhA) supply had least blood loss (average 150 ml), and patients with additional ICA supply had disproportionate increase in blood loss (700 ml in unilateral and 1350 ml in bilateral ICA supply). No neurological complications were seen. Complete endoscopic tumour removal was obtained in 19 cases. 2 cases underwent repeat surgery with complete excision, and one kept on follow up. Two patient received autologous blood transfusion. Conclusions: Unilateral or bilateral IMA and AScPhA artery supply is associated with high embolization rates and low blood loss. ICA supply contributes to lower embolization rates and increased blood loss.
Magnitude and origin of the deuterium kinetic isotope effect during methane coupling and related reactions over Li/MgO catalysts

The deuterium kinetic isotope effect during methane coupling over a Li/MgO catalyst at 746 o C has been determined as a function of methane concentration (10-80%) at two different oxygen concentrations (5 and 10%). In contrast to one earlier report, the overall rate ratio, CH 4 versus CD 4 , appears constant (1.59±0.1) over this range of conditions. The isotope effect to ethane is slightly greater than the mean value. Those to ethylene and carbon monoxide are considerably greater still due to a second kinetic isotope effect in their production. The isotope effect to carbon dioxide is correspondingly less
Ultraviolet Light and Conduction in Keratin

In ronnernol BB Ith a studB of the effect of ultraviolet lIght un k(’rat1l1 -it BB (1’-> found that radiatIon in the wave length rang-e 2400--000 B had lo ohscrvable effect on the electrIcal conductiB,itB, A &dquo;1I1g-le ! ior~ehan’ Bvas rlcatmcl by BBa~h1l1g111 cold petroteun) ether, alcohol, and dhtilled watrr. Several change. of dhtIlled water ,,. <r< thed to ensure reIllf)B(tl mt imor ImlH1ritie. The haIr BBa&dquo; moullted 1><1,,«ii clamp&dquo; ~ 1 111m. apart m all apparatus BBhich lot, already heen descr)hed III. and a rc mercur~ -1I1-quartz lamp (123 watts; i wa, l~lare~l ~.~0 cm from the haIr .Bstreamofa)rat20~01 C BB’<h 1>10BB n
Nature of nano-sized plutonium particles in soils at the Hanford Site

Abstract The occurrence of plutonium dioxide (PuO2) either from direct deposition or from the precipitation of plutonium-bearing solutions in contaminated soils and sediments is well described, particularly for the Hanford site in Washington State. However, past research has suggested that plutonium at the Hanford site may exist in chemical forms in addition to PuO2. Although the majority of the plutonium is present as oxide, we present evidence for the formation of nano-sized mixed plutonium- iron phosphate hydroxide structurally related to the rhabdophane group minerals in 216-Z9 crib sediments from Hanford using both transmission electron microscopy (TEM) and X-ray absorption spectroscopy (XAS). The iron-plutonium phosphate formation may depend on the local microenvironment in the sediments, availability of phosphate, and hence the distribution of these minerals may control long-term migration of plutonium in the soil.
Tailored nanoparticle films from monosized tin oxide nanocrystals: Particle synthesis, film formation, and size-dependent gas-sensing properties

In order to investigate the change of gas-sensitive properties of undoped tin oxide nanoparticle films depending on particle size, a thin film synthesis technique has been developed. Well-defined tin oxide nanoparticles have been prepared using a gas-phase condensation method. Pure SnO was used as starting material and was evaporated at T=820 °C. The resulting particles were sintered and crystallized in-flight at T=650 °C. Size-selected nanoparticles ranging from 10 to 35 nm were produced to form a nanoparticle film by means of electrostatic precipitation or low pressure impaction. The effect of in-flight oxidation, sintering, and crystallization on the structure, size, and size distribution of nanoparticles have been studied in detail. The samples show n-type semiconductors’ behavior like bulk SnO2. The influence of particle size on gas sensitivity and response behavior is investigated for C2H5OH at operating temperatures 200–300 °C using silicon substrates having an interdigitated contact pattern and an.
Effects of Mass Action Equilibria on Fixed-Bed Multicomponent Ion-Exchange Dynamics

A generalized parallel pore and surface diffusion model and associated dynamic simulation program have been developed for multicomponent fixed-bed ion-exchange processes. Both equilibrium and nonequilibrium mass action laws are used to describe stoichiometric ion exchange. Model equations are solved numerically for frontal, pulse, or sequential loading processes. Analytical solutions obtained from a local equilibrium theory for binary systems and experimental data of two multicomponent systems served as benchmarks for the numerical solutions. The results indicate that the parallel pore and surface diffusion model should be considered for nonlinear large-particle systems. A parametric study shows that a major difference in fixed-bed dynamics between mass action and Langmuir systems lies in the propagation of diffuse waves of multivalent ions. Generally, the higher the valence or mass action equilibrium constant, the more pronounced the tailing of diffuse waves, which results in apparent adsorption hysteres.
OPTICAL MONITORING OF BLEACHING AGENTS EFFECTS ON HUMAN DENTAL REMAINS

The time evolution of the bleaching effect, of hydrogen peroxide and two different concentrations of carbamide peroxide, on partially deteriorated human dental remains was analyzed by optical diffuse reflectance in the visible region of the spectrum. The optical measurements show that, after applying the first bleaching treatment, the reflectance increases. However for successive applications, a decrease of the reflectance is observed. This effect can be attributed to enamel teeth surface etching induced by the bleaching agents, allowing the inner dentin to contribute to the optical spectra and diminishing the reflectance. Additionally, in order to compare with previous studies in dentistry, colorimetric analysis of the process was also performed. The relevance in the use of protocols for cleaning valuable dental pieces in forensics, anthropology, and archeology is discussed.
Mouthful Size Effects on Mastication Effort of Various Hydrocolloid Gels Used as Food Models

This study aimed to quantify effects of food mouthful size on eating effort while masticating solid foods represented by five hydrocolloid gels varying in texture by means of electromyography (EMG). Eleven subjects ate 3 (S) and 6 (L) mL mouthfuls of five gel samples in their normal way without any designated conditions. EMG activities from both masseter muscles, as jaw-closing muscles, and the suprahyoid muscles, as the jaw-opening muscles, were recorded during free eating. Differences in EMG variables were analyzed separately before the first swallow and during the entire oral processing until the last swallow. When food size was halved from L to S, entire time of oral processing, the number of chews, and the number of swallows were approximately 0.7 times more than those for L gels. The sum of muscle activities was determined by both the jaw-closing and jaw-opening muscles, and the relative values for S gels were about 0.8 of the L gels. EMG variables per chewing motion were not significantly different between S and L gels. Those observations were found to be similar for the five different gel types. These results suggest that the mastication effort can be estimated quantitatively for hydrogels with wide range of texture if a small enough mouthful size is consumed. The mastication effort for L gels was 1.4 times greater than that of S gels; however, it was never greater than 2 times the S gels.
Decadal environmental changes on the dune field of Maspalomas (Canary Isalnds) : evidences of an erosive tendency

This paper shows the environmental changes that have taken place in a dune area since the 60s decade until present time by means of aerial photographs and satellite images. The selected study area is the Maspalomas dune field, located in the southern margin of Gran Canaria. This area is the only dune field in the island and was declared Special Natural Reserve in 1994 according to coastal conservation and management policy. The evolution of this system is closely related with tourist activities around the area, where the urban development since the 60s decade seems to be related with the modification of the lower wind field, which contributed to the stabilization of the inner dune sector. Another aspects related to the sedimentary evolution of the area includes the general decrease of the dune field height, the formation of wide deflation surfaces and wet sandy areas, the lower dune mobility due to the increase of vegetation, and the shoreward retreat of the foredune. All this facts can only be explained due to decrease in the input of sediments.
SEWAGE SLUDGE APPLICATION TO AGRICULTURAL LAND AS SOIL PHYSICAL CONDITIONER

SUMMARY Water resource quality is a concern of today’s society and, as a consequence, low pollutant wastewaters and sludges are being increasingly treated, resulting in continuous production of sewage sludge. Sewage sludge (SS) can be used as soil physical conditioner of agricultural or degraded lands, due to its organic C component. The objective of this research was to evaluate the long-term SS effects on soil physical quality of properties such as bulk density, porosity, permeability and water retention of degraded soils treated with annual SS applications. The SS rates were calculated according to the crop N demand. The field experiment consisted of three treatments: mineral fertilization, 10 and 20 Mg ha -1 of SS (once and twice the SS quantity to meet the maize N demand, respectively), in annual applications to the surface layer of a eutroferric Red Latosol. SS reduced bulk density, increased macroporosity and decreased microporosity after the third application, but did not significantly alter the soil permeability and physical quality as measured by the S index in the surface layer.
Liquid−Liquid Equilibria of Aqueous Biphasic Systems Composed of 1-Butyl-3-methyl Imidazolium Tetrafluoroborate + Sucrose/Maltose + Water

Phase behaviors of aqueous biphasic systems (ABSs) composed of 1-butyl-3-methyl imidazolium tetrafluoroborate ([bmim]BF4) + sucrose/maltose + water were reported in this work. Phase diagrams, including binodal curves, tie-lines, and the slope of tie-line (STL) were obtained at temperatures of T = (278.15, 288.15, 298.15, and 308.15) K. The binodal curve data were correlated using an empirical equation, and the tie-line data were correlated according to Othmer−Tobias and Bancroft equations. Good agreements with the experimental data were obtained, and results showed that these equations can be satisfactorily used to correlate the experimental data of the investigated systems at the given temperatures.
LIQUID TELLURIUM AS A CATALYST FOR THE DEHYDROGENATION OF SEVERAL POLYNUCLEAR HYDROCARBONS

Liquid tellurium has been found to catalyze selectively the dehydrogenation of certain polynuclear hydrocarbons, i.e. tetralin, indane, acenaphthene, 9,10-dihydroanthracene, 9,10-dihydrophenanthren.
The Role of Structural Carbon in Transition Metal Sulfides Hydrotreating Catalysts

The necessity of improving the hydrotreating sulfide catalysts' efficiency in deep hydrodesulfurization (HDS) is urgent due to new environmental regulations regarding sulfur content in fuels. Progress has been made in understanding the basis for cobalt-promoted molybdenum sulfide activity. However, recent results [R. R. Chianelli and G. Berhault, Catal. Today53, 357 (1999)] have evidenced that carbon plays an important role in the stabilized structure of active catalysts. Indeed, the active surface in the stabilized, catalytically active transition metal sulfide (TMS) phase is carbided. Moreover, it is well-known that organosulfide treatment of oxide catalysts to produce the active catalytic form results in a better HDS activity, suggesting an initial modification of the sulfide structure in the presence of a carbon source. This study reports the structural and textural modifications of unsupported MoS2 catalyst via CH3–S–CH3 or dibenzothiophene treatment in order to better characterize the formation of structural carbon on MoS2 layered particles. Both bulk characterization techniques (Synchrotron X-ray diffraction, far-IR) and surface-sensitive methods (electron energy loss spectroscopy (EELS), near-edge X-ray absorption fine structure (NEXAFS)) were performed in order to carefully study the final state of carburized unsupported molybdenum sulfide. Complementary electronic microscopy studies were carried out to clarify textural modifications occurring consecutively with this treatment. Evidence is shown that structural carbon processes through a replacement of sulfur atoms at the reactive edges of MoS2 platelets, resulting in a stabilized MoS2−XCX phase. This carburization surface process does not affect the MoS2 bulk structure. Results also demonstrate that carbon stabilizes texturally sulfide particles, keeping crystallites smaller and less stacked. Thus, the active TMS should be viewed as sulfide-supported transition metal carbides. This work is a preliminary study about the neglected role of carbon on TMS-based catalysts operating in hydrotreating conditions. Further studies will point out the catalytic consequences due to the formation of this stabilized phase.
Chemical composition of PM1 and PM2.5 at a suburban site in southern Italy

Organic (OC) and elemental carbon (EC), inorganic ions (Cl−, NO3−, SO42−, Na+, NH4+, K+, Ca2+), methanesulfonate (MSA−) and metals (Al, Fe, Pb, Mn, Ba, V) were monitored in PM1 and PM2.5 samples collected at a suburban site in south-eastern Italy, to contribute to the characterisation of fine particles in the Central Mediterranean. Mean mass concentrations are 13 µg/m3 and 22 µg/m3 in PM1 and PM2.5, respectively. OC, EC, SO42−, NH4+, NO3−, K+ and Ca2+ are predominant components and account for 54% and 56% of the PM1 and PM2.5 mass, respectively. OC, EC, SO42−, NH4+, K+ and Ca2+ concentrations lie in the range of the corresponding ones measured in PM1 and PM2.5 samples collected at suburban/urban Mediterranean sites. NO3− and trace element concentrations lie in the range of the corresponding ones measured in PM1 and PM2.5 samples collected at remote/background Mediterranean sites. The biogenic nss-SO42− accounts for ~5% and 4% of nss-SO42− in PM1 and PM2.5, respectively. The seasonal trend of the components partitioning and the interspecies correlation analysis in PM1 and PM2.5-1 indicated that the PM1 and PM2.5-1 components depend on season and are likely not controlled by similar sources, and/or similar generation processes, and/or similar transport patterns. The sulfur and nitrogen oxidation ratios were calculated to contribute to the understanding of the seasonal dependence of nitrate and sulfate concentrations in PM1 and PM2.5-1. The mass closure analysis showed that organic matter (OM), EC, and nitrate mass percentages are larger in autumn–winter. NH4+, nss-SO42−, and crustal matter mass percentages are larger in spring–summer. Finally, the ratio of the crustal matter in PM1 to that in PM2.5-1, which is 0.2 and 0.3 in spring–summer and autumn–winter, respectively, and the higher (OM+EC) contribution in PM1 than in PM2.5-1 led to the conclusion that PM1 would be a better indicator for fine-anthropogenic particles than PM2.5.
Chemical investigation of the leaves of Moringa stenopetala

Abstract (Received April 17, 2000; revised May 23, 2000) The ethanol extract of the leaves of Moringa stenopetala led to the isolation of three glycosides. The compounds were identified as rutin, 4-(4'-O-acetyl--L-rhamnosyloxy)- benzylisothiocyanate and 4-(4'-O-acetyl--L-rhamnosyloxy)-benzaldehyde. The last two compounds are reported for the first time from M. stenopetala . Structure determination was accomplished by means of spectroscopic and chemical studies. Bull. Chem. Soc. Ethiop. 2000 , 14(1), 51-56 Bulletin of the Chemical Society of Ethiopia. ISSN: 1011-3924