Miracle-dz/UniFAR-FTUs huggingface dataset:
Magnetic Behavior of the FeSiO3–MgSiO3 Orthopyroxene System From NGR in 57Fe

The magnetic behavior of (FexMg1−x)SiO3 with 0.269≤x≤1.0 was investigated between 300° and 1.7°K using NGR of 57Fe. For x≳0.76 magnetic ordering was observed at the following temperatures: x=1.0, TC=38°K; x=0.866, TC=18°K; x=0.758, TC=11°K. Ferrous ions occupy two different lattice sites (M1 and M2) of low symmetry. The resonance spectra consist of two superimposed hyperfine patterns, which reflect different electronic ground states for Fe2+ at the two sites. The M2 site is characterized by a smaller magnetic hyperfine field and a more negative isomer shift compared to the M1 site. Typical values for FeSiO3 at 4.2°K are 113 kOe, 1.29 mm/sec, 45 MHz at M2 and 290 kOe, 1.34 mm/sec, 69 MHz at M1. Above TC two quadrupolar doublets are observed. The quadrupole coupling of the M1 site shows a strong temperature dependence, while that of the M2 site remains fairly constant. The magnetically more dilute samples (x≲0.4) did not show ordering in the temperature region above 1.7°K, but produced paramagnetic relaxati.
Effect of surfactant/silica molar ratios on the formation of mesoporous molecular sieves : inorganic mimicry of surfactant liquid-crystal phases and mechanistic implications

The influence of surfactant/silica molar ratio (Sur/Si) in the synthesis of mesoporous molecular sieve materials (M41S) was studied in a simple ternary synthesis system containing tetraethylorthosilicate (TEOS), water, and the cetyltrimethylammonium (CTMA) cation at 100{degrees}C. The resulting silicate materials were characterized by X-ray diffraction, {sup 29}Si NMR, and FTIR. As the Sur/Si molar ratio increased from 0.5 to 2, the siliceous products obtained could be classified into four separate groups: MCM-41 (hexagonal), MCM-48 (cubic), thermally unstable M41S, and a molecular species, the cubic octamer [(CTMA)SiO{sub 2.5}]{sub 8}. One of the thermally unstable structures has been identified as a lamellar phase. These results are consistent with known micellar phase transformations that occur at various surfactant concentrations and reinforce the concept that liquid-crystal structures serve as templating agents for the formation of M41S type materials. 48 refs., 13 figs., 5 tabs.
Range-separated density-functional theory for molecular excitation energies

Linear-response time-dependent density-functional theory (TDDFT) is nowadays a method of choice to compute molecular excitation energies. However, within the usual adiabatic semi-local approximations, it is not able to describe properly Rydberg, charge-transfer or multiple excitations. Range separation of the electronic interaction allows one to mix rigorously density-functional methods at short range and wave function or Green’s function methods at long range. When applied to the exchange functional, it already corrects most of these deficiencies but multiple excitations remain absent as they need a frequency-dependent kernel. In this thesis, the effects of range separation are first assessed on the excitation energies of a partially-interacting system in an analytic and numerical study in order to provide guidelines for future developments of range-separated methods for excitation energy calculations. It is then applied on the exchange and correlation TDDFT kernels in a single-determinant approximation in which the long-range part of the correlation kernel vanishes. A long-range frequency-dependent second-order correlation kernel is then derived from the Bethe-Salpeter equation and added perturbatively to the range-separated TDDFT kernel in order to take into account the effects of double excitations.
Produtividade e qualidade de sementes de feijoeiro (Phaseolus vulgaris L.) sob influência de parcelamentos e fontes de nitrogênio

O presente trabalho objetivou avaliar o efeito de fontes e do parcelamento de nitrogenio na produtividade do feijao "de inverno" e na qualidade fisiologica e uniformidade de suas sementes. O experimento foi instalado em area pertencente a Faculdade de Engenharia de Ilha Solteira - UNESP, no periodo de inverno. Foram estudados 14 tratamentos, constituidos por duas fontes de N (sulfato de amonio e ureia) e sete parcelamentos (0-0; 0-75; 15-60; 30-45; 45-30; 60-15 e 75-0 kg ha-1 de N, respectivamente, na semeadura e em cobertura). Toda a area experimental recebeu 60 kg ha-1 de P2O5 e 30 kg ha-1 de K2O como adubacao basica. A qualidade fisiologica das sementes foi avaliada por meio do teste de germinacao e testes de vigor. A aplicacao de 75 kg ha-1 de nitrogenio propiciou, em media, incrementos de 38% na produtividade da cultura. O nitrogenio na semeadura e, ou, em cobertura nao interferiu na produtividade do feijoeiro. Nas condicoes experimentais, a adubacao com ureia e exclusivamente na semeadura seria a recomendada, tendo em vista uma unica aplicacao e a produtividade obtida. A aplicacao de nitrogenio proporcionou a obtencao de maior quantidade de sementes comerciais, nao sendo o modo de aplicacao e a fonte consistentes quanto aos seus efeitos sobre o vigor das sementes.
Theoretical treatment of solvent effects on electronic spectroscopy

We examine the effects of solvation on chromophores using a simple self-consistent reaction field (SCRF) model. In this model a SCRF self-consistent field calculation is followed by configuration interaction to generate excited states in the presence of a dielectric continuum. The absorption process is considered instantaneous, and only the electron polarization of the solvent is allowed to respond to the excited-state charge distribution. This model is then applied to a variety of molecules in «solution» using the intermediate neglect of differential overlap (INDO/S) model Hamiltonian. The model reproduces very well the shifts observed in aprotic solvents
The fluorine atom initiated oxidation of CF3CFH2 (HFC‐134a) studied by FTIR spectroscopy

Experiments have been carried out on the oxidation of CF3CFH2 (HFC-134a). Reaction was initiated by continuous photolysis of F2 in the near-ultraviolet. The F atoms produced abstracted a hydrogen atom from CF3CFH2 initiating oxidation in gas mixtures containing O2 and made up to a total pressure of 700 torr with N2. Product yields were measured using Fourier-transform infrared (FTIR) spectroscopy. Experiments were performed with several different partial pressures of O2 present, and at three temperatures; 298, 323, and 357 K. The major products were HC(O)F, CF3C(O)F, and CF3O3CF3, consistent with H atom abstraction by O2 and CC bond scission being the dominant loss processes for CF3CFHO radicals: CF3CFHO+02 CF3C(O)F+HO2 (4a) CF3CFHO+M CF3+HC(O)F+M (4b) The following expression was derived for the ratio of rate constants for these reactions: k4a/k4b=(3.8±1.6)×10−24 exp[(2400±500)/T]cm3 molecule−1 (viii) The main fate of the CF3 radicals was formation of CF3O3CF3 and small amounts of CF3OH were detected. The results of the present experiments in which F atoms were used to initiate reaction are in good agreement with those of previous studies in which Cl atoms were employed to initiate the oxidation of HFC-134a. © 1998 John Wiley & Sons, Inc. Int J Chem Kinet 30: 541–554, 1998
Mortalité maternelle au centre de santé Roi Baudouin de (Dakar – Sénégal) : à propos de 308 cas.

Objectives: - To determine the epidemiologic profile and private clinics of the cases of maternal mortality at the centre de sante Roi Baudouin; - To identify the etiologies of the cases of maternal death at the centre de sante Roi Baudouin; - To determine the assumption of responsibility of the cases of maternal death at the centre de sante Roi Baudouin. Material and methods : It was about a longitudinal descriptive retrospective study relating to 308 cases of maternal death from January 1998 to December 2005 at the centre de sante Roi Baudouin; de Guediawaye, in suburbs of Dakar. We had included in the study all the patients died during the time of the gravido-puerperality during the study period. The studied parameters related to the socio-epidemiologic data, the clinical data on the pregnancy and the childbirth, the quality of the assumption of responsibility, the causes of maternal death and the forecast neonatal. The data were analyzed with the software Epi information-version 6. Results : The ratio of maternal death was of 615.8 per 100.000 live births. The Middle Age of the deaths was 28.4 years with extremes of 14 and 52 years. The average gestity was of 4 with extremes of 1 and 25. As for the parity, it was of 3.9 with extremes of 1 and 22. The multipares were the section most concerned, followed first calf cows. A woman on four had made more than 3 antenatal consultations. The majority of our patients were evacuated (53.6%), but only 18.2% of the patients had profited from a medicalized transport. The reasons for evacuation were dominated by the vasculo-renal haemorrhages (49%) and syndromes (19%). The majority of the patients (n=234) had been confined, that is to say 76% of the cases; by natural way (45%) and Caesarean (32%). The patients had died of direct obstetrical causes in 80%, the indirect causes accounted for only 17,5%. The obstetrical causes death were dominated by the abrupto placentae, the haemorrhage of the postpartum and the uterine rupture. The maternal death was associated in more half of the cases of a fetal death (51.3%). The maternal age, the parity, the quality of the antenatal consultations, the hemorrhagic pathology coupled with the way of childbirth influenced occurred of maternal death. Conclusion: Maternal mortality remains a major concern at the centre de sante Roi Baudouin. The reduction of this mortality passes by operation correct 24 hours a day hours of the other ONEC centers of the area of Dakar, the availability of blood and its derivatives and the creation of a functional service of intensive care.
Chemical evidence for the de-astringency (insolubilization of tannins) of persimmon fruit

After artificial removal of the astringency from persimmon fruit by treatment with ethanol, thiol-promoted degradation of the insolubilized proanthocyanidin polymers with 2-sulfanylethanol yielded 4β-(2-hydroxyethylsulfanyl)-6- and -8-[1-(2-hydroxyethylsulfanyl)ethyl]-flavan-3-ols 9–14. Furthermore, when deuteriated ethanol was used for de-astringency, the deuterium atoms were incorporated into the C2 unit attached to the A-ring of these compounds. These findings evidently show that acetaldehyde formed in situ from ethanol plays an important role in polymerization (insolubilization) of water-soluble proanthocyanidins, causing the loss of astringency.
Characterisation of ferroelectric poly(vinylidene fluoride–trifluoroethylene) film prepared by Langmuir-Blodgett deposition

Ferroelectric polymer is a flexible memory material that is insensitive to environmental variations and lends itself to research in emerging optoelectronic applications. Using Langmuir-Blodgett (LB) deposition technology, the thickness of a ferroelectric film can be controlled in the nanometre range, offering a pathway to molecular electronics. In this reported work, ultrathin ferroelectric polymer films were fabricated through LB deposition technology and characterised by observing the surface morphology, crystallinity and polarisation–voltage relationships. Unlike previously reported ferroelectric LB films, this work has shown a maximum remanent polarisation (P R) of 6 μC/cm2 at 35 nm, which is compatible with the thick film prepared by the spin-coating method. In addition, the polarisation stability in terms of depolarisation was investigated, which showed that the engineering of the interface between the ferroelectric LB film and the substrate is an important, deterministic factor for reliable memory applications with high signal-to-noise ratios.
Soils of flood plains of west Africa: General fertility status

Abstract As a part of efforts to effectively utilize the wetlands of the West Africa sub-region for the production of rice and other crops, in order to alleviate the persistent food shortage while also protecting and conserving the environment for sustainability, the general fertility status of flood plain soils were assessed. The whole sub-region was found to be deficient in available phosphorus. Available P (Bray No.2) was deficient for both the humid Equatorial forest (EF) and sub-humid Guinea savanna (GS), as well as the drier northern sector of Sudan savanna (SuS) and Sahel savanna (SaS) zones. Mean available P levels in the topsoil (0-15 cm) were 9.84, 8.01, 7.25, and 7.31 mg kg-1 for the EF, GS, SuS, and SaS zones respectively. Effective cation exchange capacity (eCEC) and levels of exchangeable K, Ca, and Mg were higher for the SaS and SUS than for the GS and EF zones. The level of exchangeable K was, however, very low within the EF zone. The soils were slightly acidic to neutral but with isolated.
Interactive comment on “ Performance of the line-by-line radiative transfer model ( LBLRTM ) for temperature and species retrievals : IASI case studies from JAIVEx ”

This paper presents an evaluation of the limits of the Line-By-Line Radiative Transfer Model (LBLRTM) developed by part of the co-authors. This is performed by an intercomparison of the spectral upward radiance measured with the Infrared Atmospheric Sounding Instrument (IASI) and the results of the LBLRTM forward calculations based upon an atmospheric state derived from other atmospheric soundings (aircraft, lidar) performed correlative to IASI. In so doing, significant residuals of the LBLRTM in various spectral regions are found which originate from different error sources. The high quality radiometric calibration of the IASI instrument allows the analysis and determi-
Micro‐Raman spectroscopy and VP‐SEM/EDS applied to the identification of mineral particles and fibres in histological sections

Histological sections of a patient affected by an important respiratory disease were analysed firstly by optical microscope(OM)—crossed polarisers—to identify the presence of incorporated inorganic particles, with particular attention to the fibrous ones. Then, the particles/fibres that were found were studied both with micro-Raman spectroscopy and variable-pressure scanning electron microscopy with energy-dispersive spectroscopy (VP-SEM/EDS). The two techniques allowed the in situ characterisation of the inorganic phases without disintegration of the organic matter. Micro-Raman spectroscopy was able to identify the vibrating chemical groups of the mineral phase associated with the inorganic grain while the crystalline structure was preserved by the biological system. The VP-SEM/EDS characterisation, defining the elemental chemical composition of the analysed particle/fibre, allowed confirmation of the mineral phase deducible from spectroscopic data or its identification with certainty when the spectroscopic data were not exhaustive. Copyright © 2009 John Wiley & Sons, Ltd.
Antimicrobial activity and chemical composition of essential oil and hydrosol extract of Nepeta nepetella subsp. amethystina (Poir.) Briq. from Algeria

Article history: Received on: 12/06/2015 Revised on: 17/07/2015 Accepted on: 11/08/2015 Available online: 27/09/2015 The essential oil and hydrosol extract of Nepeta nepetella subsp. amethystina, obtained by hydrodistillation and analysed by GC, GC–MS, 1H and 13C NMR, were evaluated for their antimicrobial activity using disks diffusion method and MICs against thirteen pathogenic microorganisms. The chemical analysis of essential oil and hydrosol extract allowed the identification of 34 and 12 constituents representing 96.77% and 80.07% of total oil and hydrosol extract, respectively. The two isomers 4a,7,7a-nepetalactone and 4a, 7, 7a-nepetalactone were found to be the major components in N. amethystina essential oil and hydrosol extract, , 7-nepetalactone and 4a,7a,7respectively. The two isomers 4a -nepetalactone were found to be the major components in N. 7a amethystina essential oil and hydrosol extract. Candida albicans strains were the most sensitive microorganisms towards N. amethystina essential oil and hydrosol extract, which have the largest inhibition zones (˃30mm) and the lower MICs values (<1.25%). The anti-mold activity, carried out by the diffusion method, showed that N. amethystina essential oil has a very interesting activity against Aspergillus flavus and Cladosporium herbarium.
Induction characteristics and optimization of production conditions of Xylanase by selected fungal species on lignocellulosic substrates

Five xylanolytic fungi were isolated from saw dust samples collected from a saw mill dump in Ibadan, Nigeria. The effect of lignocellulosic substrates on the production of xylanases was studied in shake flasks. Trichoderma sp. Fd4 produced high yield of the enzyme when grown in 2% wheat bran. Similarly, xylan, lactose and maltose, used as carbon sources induced the production of high levels of xylanase. Trichoderma viride Fd18 produced 10.4 U/ml of xylanase using NH4Cl as nitrogen source, while NH 4 NO 3 repressed enzyme production by Aspergillus ustus Fb2. The fungal isolates produced good amount of xylanase at 30-40 o C, pH 4.5-6.0, 7 days of incubation, initial spore size of 10 6 and in presence of NaCl and KCl in the basal medium. Keywords: Xylanase, fungi, lignocellulosic waste, submerged fermentation, optimization
Liquid-crystalline transitions in homologous p-phenylenes and their mixtures. Part 1.—Experimental results

Temperatures of the nematic → isotropic (TNI) and smectic-A → nematic (TSN) transitions in p-quaterphenyl, p-quinquephenyl and p-sexiphenyl have been determined from differential scanning calorimetry measurements carried out on the pure compounds and their binary mixtures. Both transitions are located below the melting point (Tf) of pure p-quaterphenyl; for p-quinquephenyl TSN lies a few degrees below the crystal–nematic (TKN) transition. The transition temperature TNI= 565 °C found for p-sexiphenyl, although slightly higher than the value reported by Lewis and Barr, is confirmatory of their observations; it is much lower than was predicted by Flory and Ronca. The low density of p-sexiphenyl has been identified as a major factor responsible for this disparity between the previous theoretical calculations and experimental results. The densities of the fluids have been determined and thermal expansivities have been estimated. At TNI the densities of p-quinquephenyl and p-sexiphenyl, 0.905 and 0.81 g cm–3, respectively, are quite low. Biphasic equilibria in the binary mixtures have been observed as functions of composition and the complete phase diagrams have been delineated.
The Impact of Gender Inequality on Economic Growth in Indonesia

There is no any region in a developing country where women have got equality in legal, social and economic rights (United Nations Development Programme, 2010). Gender inequality occurs in education, employment, access to resources, economy, power, and political participation. Women bear the heaviest burden as a result of inequality, but basically, inequality harms everyone, and ultimately hurts the economy of a country. This study aims to analyze gender inequality in Indonesia by using the Gender Development Index (GDI) and the Human Development Index (HDI). Descriptive analysis shows that there is a gender inequality, seen from the distance between HDI and GDI.
How the Allocation of Childrens Time Affects Cognitive and Non-Cognitive Development

The allocation of childrens time among different activities may be important for their cognitive and non-cognitive development. In our work we exploit time use diaries from the Longitudinal Study of Australian Children to study the effect of time allocation across a wide range of alternative activities. By doing so we characterize the trade-off between the activities to which a child is exposed. On the one hand, our results suggest that time spent in educational activities, particularly with parents, is the most productive input for cognitive skill development. On the other hand, non-cognitive skills appear insensitive to alternative time allocations. Instead, these skills are greatly affected by the mothers parenting style.
Mn–Fe Layered Double Hydroxides for Adsorption of As(III) and As(V)

Arsenic pollution in drinking water or surface water has become a worldwide environmental issue and is a serious threat to human health. In this study, Mn–Fe–CO3 layered double hydroxides (LDHs) were prepared by the co-precipitation method, for the removal of As(III) and As(V) from solutions. The physical and chemical characteristics of LDHs were analyzed by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and scanning electron microscopy (SEM). As(III) and As(V) adsorption capacities and the mechanism of metal removal by LDHs were determined by batch and column experiments. The results indicate that LDHs are novel and excellent adsorbents for arsenic removal.
Factors Influencing the Production of Dust During the Hand Sanding of Wood

The effect of wood density and hardness, sandpaper grade, and contact pressure on the production of dust during the sanding of wood was investigated. The hardness and density of the wood correlated so well with each other that it was impossible to distinguish between the effects of each one. Harder woods produced a lower rate of dust production and finer dust, but the quotient of the mass of dust produced and the mass of wood removed varied little with wood type. Fine and coarse sandpaper produced similar concentrations of airborne dust, but coarse sandpaper produced less dust per unit mass of wood removed. Small samples of wood produced less dust per unit mass of wood removed than larger samples, but the benefit of this would be offset by the poorer efficiency of dust extraction systems in this situation.
Viscoelasticity of carbon nanotube buckypaper: zipping–unzipping mechanism and entanglement effects

It has been reported that carbon nanotube (CNT) buckypaper demonstrates frequency- and temperature-invariant viscoelastic properties [Xu et al., Science, 2010, 330, 1364]. In an attempt to provide microscopic insight, we performed coarse-grained molecular dynamics simulations on the viscoelastic properties of model CNT buckypaper. First of all, the model is shown to exhibit the observed frequency- and temperature-invariant viscoelastic features. Analyzing snapshots of the buckypaper under cyclic shear deformation, we furthermore confirm that a zipping–unzipping mechanism plays an important role in the molecular origin of the particular viscoelastic properties of buckypaper. Quantitative inspection of the amount of inter-tube entanglements per CNT, 〈Z〉, reveals that CNT buckypaper is faced with reversible entanglement loss during the shear loading process; the equilibrium 〈Z〉 is fully recovered if shear loading is removed. The variation of 〈Z〉 during a loading–unloading–reloading cycle is found to be insensitive to both frequency and temperature. Our study highlights an energy dissipation mechanism for carbon nanomaterials, which can help us design new energy-adsorption coatings/damping devices under extreme conditions, and seems to rule out a recently proposed scenario of unstable detachments–attachments.