Miracle-dz/UniFAR-FTUs huggingface dataset:
Atributos físicos do solo em área de mineração de carvão influenciados pela correção da acidez, adubação orgânica e revegetação

The physical, chemical and biological properties of soils of reconstructed areas after coal mining are altered. This study aimed to evaluate liming, mineral and organic fertilizers and revegetation effects on the physical properties of a reconstructed soil after open-pit mining. The experiment was carried out in a former mine in Lauro Muller County - SC, in southern Brazil, from 2001 to 2005. The site was mined in 1991 and reconstructed in 1995. A randomized complete block design was used, with three replications. The treatments consisted of: (1) Control; (2) "dregs" (alkaline residue); (3) Lime; (4) Lime + Brachiaria brizantha; (5) Lime + Brachiaria brizantha + poultry litter. Pinus taeda and Eucalyptus saligna seedlings were transplanted to subplots of all treatments. Dolomitic limestone and dregs were incorporated in the soil at a depth of 10 cm. Nitrogen, potassium and phosphorous fertilizers were added on the soil surface of all plots according to the official recommendation. Soil samples were collected in February 2005 (from the layers 0-5 and 5-10 cm), and their physical and chemical properties evaluated. The treatments had no effects on soil bulk density, particle density, total porosity, macroporosity and microporosity. Liming increased pH, caused clay dispersion and reduced aggregates stability in water, while dregs increased pH without dispersing clay. Poultry litter and Brachiaria brizantha increased the aggregate stability and volumetric water content, thus favoring the recovery of soil physical quality in degraded areas.
Synthesis and magnetic properties of polymeric complexes containing ruthenium(II)-ruthenium(III) tetracarboxylato units linked by cyanato, thiocyanato, and selenocyanato ligands

Polymeric complexes of ruthenium(II)-ruthenium(III) tetracarboxylato units linked by cyanato, thiocyanato, and selenocyanato ligands [Ru2{O2C(CH2)mCH3}4(L)]n (m = 0, 4–7; L = OCN−, SCN−, and SeCN−) were prepared and characterized based on the elemental analyses, IR, and diffuse reflectance spectra. Magnetic susceptibilities were measured at the temperature range of 4.5 K to 300 K, where the interdimer antiferromagnetic interactions were revealed. The strongest interaction was exhibited in case of m = 7 and L = OCN−. 1H-NMR spectra of [Ru{O2C(CH2)7CH3}4(SCN)]n in CD2Cl2 showed broad signals which can be ascribed to polymeric species, as the addition of tetrabutylammonium thiocyanate caused sharper signals due to the formation of [Ru2{O2C(CH2)7CH3}4(SCN)2]− adduct as the main species in the solution.
Aggregation and carbon storage in silty soil using physical fractionation techniques

Soil texture and degree of aggregation affect the stabilization of organic matter. We studied their influences in silty soils using samples from two field experiments with contrasting long‐term use (cropped versus bare fallow). The cropped soil had a larger organic C content than the bare fallow, and allowed us to compare a soil with pools of organic C differing in turnover time with a soil dominated by the passive organic C pool. Increasingly dispersive treatments applied to the soils yielded aggregates of various sizes, stabilities, and organic matter contents. We found an intimate interaction between soil structure and organic matter by demonstrating that aggregation is hierarchical and that active pools of organic matter are responsible for this hierarchy. Microaggregates were found to consist of a constant ratio of clay to silt particle‐size fractions. We propose that such a property be used to estimate true microaggregation and aggregate stability by estimating the amount of soil material dispersed by a given treatment. Organic matter associated with clay is confirmed as an important sink of long‐term stabilized C, and it appears to have been increasingly preserved when in increasingly larger aggregates. However, most of the soil mass and associated organic C is in smaller aggregates. We hypothesize that the physical protection within macroaggregates does not directly control long‐term stabilization of organic C in the soil, but rather contributes indirectly through the time and local conditions it offers for organic matter to gain chemical or physico‐chemical protection by interacting with the soil environment.
Shelf Life Extension of Korean Fresh Pasta by Modified Atmosphere Packaging

Fresh pasta was packaged in a modified atmosphere of 22% CO₂ /78% N₂, compared with a control air package for its quality changes during storage at 8℃. The modified atmosphere packaging suppressed the microbial growth of total aerobic bacteria, yeasts/molds with a concomitant reduction in the rates of physical, chemical quality changes,, thus successfully extended the shelf life of fresh pasta from 20 days of air packs to 40 days based on microbial criterion of 10^6 cfu/g. The shelf life extension was greater when the initial microbial quality of the product was better
Histamine response and local cooling in the human skin: involvement of H1‐ and H2‐receptors

Aims Histamine may contribute locally to cutaneous blood flow control under normal and pathologic conditions. The objective of this study was to observe the influence of skin temperature on histamine vasodilation, and the roles of H1-and H2-receptors using novel noninvasive methods. Methods Eleven healthy subjects received, double-blind, single doses of the H1-receptor antagonist cetirizine (10 mg), cetirizine (10 mg) plus the H2-receptor antagonist cimetidine (400 mg), or placebo on separate occasions. Histamine was dosed cumulatively by iontophoresis to the forearm skin at 34° C and 14° C. Laser-Doppler flux (LDF) was measured at the same sites using customised probeholder/iontophoretic chambers with Peltier cooling elements. Finger mean arterial pressure (MAP) was measured and cutaneous vascular conductance calculated as LDF/MAP. Results Histamine vasodilation was reduced in cold skin. Cetirizine shifted the histamine dose-response at both temperatures: statistically significantly at 14° C only. Combined H1- and H2-receptor antagonism shifted the response significantly at both temperatures. Conclusions H1- and H2-receptors mediate histamine-induced skin vasodilation. The sensitivity of these receptors, particularly the H1- receptor, is attenuated at low skin temperature. Whether the reduced effect in cold skin represents specific receptor or postreceptor desensitization, or nonspecific attenuation of cutaneous vasodilation remains to be elucidated.
Nitrous oxide and methane emissions from grassland treated with bark- or sawdust-containing manure at different rates

On the main Japanese island of Honshu, bark or sawdust is often added to cattle excreta as part of the composting process. Dairy farmers sometimes need to dispose of manure that is excess to their requirements by spreading it on their grasslands. We assessed the effect of application of bark- or sawdust-containing manure at different rates on annual nitrous oxide (N2O) and methane (CH4) emissions from a grassland soil. Nitrous oxide and CH4 fluxes from an orchardgrass (Dactylis glomerata L.) grassland that received this manure at 0, 50, 100, 200, or 300 Mg ha−1 yr−1 were measured over a two-year period by using closed chambers. Two-way analysis of variance (ANOVA) was employed to examine the effect of annual manure application rates and years on annual N2O and CH4 emissions. Annual N2O emissions ranged from 0.47 to 3.03 kg N ha−1 yr−1 and increased with increasing manure application rate. Nitrous oxide emissions during the 140-day period following manure application increased with increasing manure application rate, with the total nitrogen concentration in the manure, and with cumulative precipitation during the 140-day period. However, manure application rate did not affect the N2O emission factors of the manure. The overall average N2O emission factor was 0.068%. Annual CH4 emissions ranged from −1.12 to 0.01 kg C ha−1 yr−1. The annual manure application rate did not affect annual CH4 emissions.
Stimulated emission from vacuum-deposited thin films of a substituted oligo(p-phenylene vinylene)

The influence of the morphology on the light emission properties of vacuum-deposited polycrystalline oligo(p-phenylene vinylene) thin films under intense laser excitation was studied. The morphology of the thin films was varied by annealing just below the first melting point (crystal-mesophase transition) and by crystallization from the isotropic melt. Amplified spontaneous emission occurred within the individual domains and was only observed when the domain size was increased by thermal treatment. The amplified spontaneous emission threshold for the melt-crystallized thin films was found to be comparable to that for conjugated polymer thin films.
Scalar dissipation, diffusion and dilatation in turbulent H2-air premixed flames with complex chemistry

Characteristics of the scalar dissipation rate, N, of a progress variable, c, based on temperature in turbulent H2-air premixed flames are studied via direct numerical simulation with complex chemical kinetics for a range of flow/flame conditions (Baum et al 1994 J. Fluid Mech. 281 1). The flames are in the usually designated wrinkled-flamelet and well-stirred reactor regimes. The normalized conditional average, , is observed to be higher than the corresponding planar laminar value because of strain thinning and the augmentation of laminar transport by turbulence within the flame front. Also, varies strongly across the flame-brush when u'/S l is high. N has a log-normal distribution when u'/S l is small and has a long negative tail for cases where u'/S l is large. In the flame with φ=0.5, shows some sensitivity to P ζ and the sensitivity seems to be weak in a φ=0.35 flame. The effect of turbulence on is observed to be marginal. The conditional diffusion and the conditional dilatation, , peak on the unburnt side of the flame-front and are higher than the corresponding laminar flame values in all cases. The inter-relationship among the conditional dissipation, diffusion, dilatation and velocity is discussed. A model for u ζ obtained from the conditional dilatation is found not to perform as well as a linear model. The above results are limited, however, because, the flow field is two dimensional, hydrogen is used as the fuel, the range of dynamic length scales is small and the sample size is small.
Generalizing the Thermodynamics State Relationships in KIVA-3V

The Peng-Robinson equation of state has been implemented into the KIVA-3V code to better handle high-pressure conditions typical of Diesel engine environments. The implementations modify pressure-volume-temperature relationships, specific heats, and departures in internal energy, among other thermodynamic partial derivatives. Computations show that significant deviations do occur for progressively heavier hydrocarbons. However, when these hydrocarbons exist in a mixture with a non-negligible portion of air, the departures from ideal behavior are mitigated. Internal energy calculations have been extended to allow for pressure effects, but the strongest factor continues to be temperature. Hence departures from ideal behavior in internal energy and related specific heats are minimum.
Mesoscopic Simulation on Phase Behavior of Ternary Copolymeric Solution in the Absence and Presence of Shear

We simulate the microphase separation dynamics of the triblock polymer surfactant (ethylene oxide)19(propylene oxide)29(ethylene oxide)19 (P65) in aqueous solution by a dynamic variant of mean-field density functional theory for Gaussian chains. With the increase of concentration, different mesoscale structures are found in the absence and presence of shear. (1) In the absence of shear, there are three morphologies formed. The first is the micellar phase, including a spherical micelle, which has hexagonal packing and a fcc (face-centered cubic) structure in the solution and a wormlike micelle, the second is the bicontinuous phase, which belongs to gyroid-type connectivity, and the third is the lamellar phase. (2) In the presence of shear, only two morphologies are formed in all concentrations, they are hexagonal and lamellar phases, which align in the flow direction. We notice that the weak shear makes the order parameters of the simulation system oscillate, while the strong shear makes the order paramete.
Complex genetics of nonsyndromic cleft lip and palate

Nonsyndromic cleft lip with or without cleft palate (CL/P) is a genetically complex disorder. It is the most common craniofacial malformation, with an incidence of between 1 in 700 and 1 in 1000 in Caucasian populations. Although CL/P appears to have a significant genetic component (with a o f at least 30 ), finding contributing genes by classic linkage analysis has proved difficult, probably due to the complexity o f the disorder. This thesis considers the evidence o f CL/P as a complex disease. Genetic analysis o f CL/P using nonparametric methods, found to be successful with other complex diseases, was performed on a large cohort o f familial cases from throughout the UK. Initially a number o f candidate genes were examined for linkage and association to CL/P. A genome-wide scan was then commenced, genotyping 356 individuals from 92 affected sib-pair (ASP) families. The thesis includes the results from the 11 chromosomes analysed to date, using Genehunter and Mapmaker/Sibs, based on allele sharing methods, and the Transmission Disequilibrium test. This study has identified, from the 11 chromosomes analysed, 7 new regions (lp36, lq24, lq42, 2q37, 6q25, IS p ll and 21q22) which may be implicated in the pathogenesis o f CL/P, and confirms the involvement o f a further 2 loci previously identified by candidate gene analysis (6p23 and TGFA on 2pl3), adding evidence to their consideration as susceptibility loci. These results are awaiting replication to confirm their contribution. Linkage analysis o f families with the Popliteal Pterygium syndrome, a syndromic cause o f clefting, for markers on lq32 at the Van der Woude locus, was consistent with the hypothesis that these disorders are allelic due to different mutations within the same gene. By identifying susceptibility genes, light will be shed on the disease pathogenesis, and progress may be made towards identifying any preventable etiologic factors.
Vibrational Optical Activity of Pharmaceuticals and Biomolecules

This article describes recent progress in the field of vibrational optical activity (VOA) as a probe of the structural properties of pharmaceutical and biological molecules. A strong emphasis is placed on vibrational circular dichroism (VCD) owing to its more advanced state of development. Raman optical activity (ROA) is included in the first two sections for completeness; other reviews give additional information about ROA.1–3,8 The article focuses on the practical aspects of VCD spectral measurement and interpretation. This is supplemented by examples that serve to illustrate the principal areas of VOA application. VCD is defined as the difference in the absorbance of the left circularly polarized (LCP) versus right circularly polarized (RCP) infrared (IR) radiation for a chiral molecule undergoing a vibrational transition. A pair of enantiomers will produce VCD spectra that are equal and opposite in sign and a racemic mixture will have a null VCD signal. VCD can be measured for all kinds of chiral molecules, irrespective of their size. In practice, measurements are often carried out in solution but, with the new advances in instrumentation, it is now possible to measure spectra of solids and mulls. Compared to other optical techniques such as electronic circular dichroism (CD) and IR absorption, VCD is unique because it combines the optical activity property of CD with the rich structural fingerprint region of IR. The discovery and first measurements of VCD occurred in the early 1970s. Although over a dozen practitioners have published close to a 1000 papers since then, it is only recently that VCD instrumentation has become available commercially for nonspecialists. Applications span a variety of fields from chemical and pharmaceutical to biological. The VCD technique can be used for the determination of absolute configuration of small chiral molecules or larger natural products. It can also be used to follow a chiral synthesis both for stereochemistry and for optical purity, and to study the secondary structure of large proteins and small peptides, and the conformation of nucleic acids and sugars. Some recent reports have also shown the unique sensitivity of ROA in the study of viruses and in protein-folding experiments. VOA is now fulfilling its promise of becoming a technique that is broadly used for stereochemical and conformational studies of all varieties of chiral molecules, both natural and synthetic.
Abstract models of molecular walkers

Recent advances in single-molecule chemistry have led to designs for artificial multi-pedal walkers that follow tracks of chemicals. The walkers, called molecular spiders, consist of a rigid chemically inert body and several flexible enzymatic legs. The legs can reversibly bind to chemical substrates on a surface, and through their enzymatic action convert them to products. We study abstract models of molecular spiders to evaluate how efficiently they can perform two tasks: molecular transport of cargo over tracks and search for targets on finite surfaces. For the single-spider model our simulations show a transient behavior wherein certain spiders move superdiffusively over significant distances and times. This gives the spiders potential as a faster-than-diffusion transport mechanism. However, analysis shows that single-spider motion eventually decays into an ordinary diffusive motion, owing to the ever increasing size of the region of products. Inspired by cooperative behavior of natural molecular walkers, we propose a symmetric exclusion process (SEP) model for multiple walkers interacting as they move over a one-dimensional lattice. We show that when walkers are sequentially released from the origin, the collective effect is to prevent the leading walkers from moving too far backwards. Hence, there is an effective outward pressure on the leading walkers that keeps them moving superdiffusively for longer times. Despite this improvement the leading spider eventually slows down and moves diffusively, similarly to a single spider. The slowdown happens because all spiders behind the leading spiders never encounter substrates, and thus they are never biased. They cannot keep up with leading spiders, and cannot put enough pressure on them. Next, we investigate search properties of a single and multiple spiders moving over one- and two-dimensional surfaces with various absorbing and reflecting boundaries. For the single-spider model we evaluate by how much the slowdown on newly visited sites, owing to catalysis, can improve the mean first passage time of spiders and show that in one dimension, when both ends of the track are an absorbing boundary, the performance gain is lower than in two dimensions, when the absorbing boundary is a circle; this persists even when the absorbing boundary is a single site. Next, we study how multiple molecular spiders influence one another during the search. We show that when one spider reaches the trace of another spider it is more likely not to follow the trace and instead explore unvisited sites. This interaction between the spiders gives them an advantage over independent random walkers in a search for multiple targets. We also study how efficiently the spiders with various gaits are able to find specific targets. Spiders with gaits that allow more freedom of leg movement find their targets faster than spiders with more restrictive gaits. For every gait, there is an optimal detachment rate that minimizes the time to find all target sites.
Ab initio calculations for the X 2Σ, A 2Π, and B 2Σ states of NaAr: Emission spectra and cross sections for fine‐structure transitions in Na–Ar collisions

Configuration interaction (CI) calculations were performed for the X 2Σ, A 2Π, and B 2Σ states of NaAr. The A 2Π state is calculated to have a well depth of 492 cm−1 at an internuclear separation of 3.04 A. Small wells of 55 and 32 cm−1 were found for the X 2Σ and B 2Σ states located at 5.01 and 6.80 A, respectively. The spectra for A 2Π–X 2Σ emission in the limits of zero and infinite Ar pressure were calculated and compared with the experiment of York, Scheps, and Gallagher and the predictions using the pseudopotential curves of Pascale and Vandeplanque. The potentials from this work give spectra in much better agreement with experiment than the pseudopotential predictions. Total and differential cross sections for fine‐structure changing transitions Na(2P1/2) +Ar→Na(2P3/2)+Ar−17.2 cm−1 were calculated by a quantum mechanical technique. The total cross sections are in excellent agreement with experimental results. The excited state differential cross sections exhibit prominent rainbow structure centered.
Mechanical influences on skeletal muscle vascular tone in humans: insight into contraction‐induced rapid vasodilatation

We tested the hypothesis that mechanical deformation of forearm blood vessels via acute increases in extravascular pressure elicits rapid vasodilatation in humans. In healthy adults, we measured forearm blood flow (Doppler ultrasound) and calculated forearm vascular conductance (FVC) responses to whole forearm compressions and isometric muscle contractions with the arm above heart level. We used several experimental protocols to gain insight into how mechanical factors contribute to contraction‐induced rapid vasodilatation. The findings from the present study clearly indicate that acute increases in extravascular pressure (200 mmHg for 2 s) elicit a significant rapid vasodilatation in the human forearm (peak ΔFVC∼155%). Brief, 6 s sustained compressions evoked the greatest vasodilatation (ΔFVC∼260%), whereas the responses to single (2 s) and repeated compressions (five repeated 2 s compressions) were not significantly different (ΔFVC∼155%versus∼115%, respectively). This mechanically induced vasodilatation peaks within 1–2 cardiac cycles, and thus is dissociated from the temporal pattern normally observed in response to brief muscle contractions (∼4–7 cardiac cycles). A non‐linear relation was found between graded increases in extravascular pressure and both the immediate and peak rapid vasodilatory response, such that the responses increased sharply from 25 to 100 mmHg, with no significant further dilatation until 300 mmHg (maximal ΔFVC∼185%). This was in contrast to the linear intensity‐dependent relation observed with muscle contractions. Our collective findings indicate that mechanical influences contribute largely to the immediate vasodilatation (first cardiac cycle) observed in response to a brief, single contraction. However, it is clear that there are additional mechanisms related to muscle activation that continue to cause and sustain vasodilatation for several more cardiac cycles after contraction. Additionally, the potential contribution of mechanical influences to the total contraction‐induced hyperaemia appears greatest for low to moderate intensity single muscle contractions, and this contribution becomes less significant for sustained and repeated contractions. Nevertheless, this mechanically induced vasodilatation could serve as a feedforward mechanism to increase muscle blood flow at the onset of exercise, as well as in response to changes in contraction intensity, prior to alterations in local vasodilating substances that influence vascular tone.