Miracle-dz/UniFAR-FTUs huggingface dataset:
Pharmacokinetics, Pharmacodynamic Efficacy Prediction Indexes and Monte Carlo Simulations of Enrofloxacin Hydrochloride Against Bacterial Strains That Induce Common Clinical Diseases in Broiler Chickens

Pharmacokinetic parameters and efficacy prediction indexes (Cmax/MIC90 and AUC0−24/MIC90) of an enrofloxacin hydrochloride (ENR-HCl) veterinary product soluble in water were determined in healthy broiler chickens of both sexes after a single oral dose of ENR-HCl (equivalent to 10 mg ENR base/kg bw). Monte Carlo simulations targeting Cmax/MIC90 = 10 and AUC0−24/MIC90 =125 were also performed based on a set of MIC (minimum inhibitory concentration) values of bacterial strains that induce common clinical diseases in broiler chickens and that showed to be susceptible to ENR-HCl. Plasma concentrations of ENR and its main metabolite ciprofloxacin (CIP) were determined by liquid chromatography-tandem mass spectrometry (LC-MS/MS). Plasma concentration-time curves were found to fit a non-compartmental open model. The ratio of the area under the plasma concentration-time curve (AUC) of CIP/ENR was 4.91%. Maximum plasma concentrations of 1.35 ± 0.15 μg/mL for ENR-HCl and 0.09 ± 0.01 μg/mL for CIP were reached at 4.00 ± 0.00 h and 3.44 ± 1.01 h, respectively. Areas under the plasma vs. time concentration curve in 24 h (AUC0−24) were 18.91 ± 1.91 h × μg/mL and 1.19 ± 0.12 h × μg/mL for ENR-HCl and CIP, respectively. Using a microbroth dilution method, the minimum inhibitory concentration (MIC90) values were determined for ENR-HCl for 10 bacterial strains (Mycoplasma gallisepticum, Mycoplasma synoviae, Avibacterium paragallinarum, Clostridium perfringens, Escherichia coli, Pseudomonas aeruginosa, Salmonella ser. Enteritidis, Salmonella ser. Gallinarum, Salmonella ser. Pullorum, and Salmonella ser. Typhimurium), which are the most common causes of infectious clinical diseases in broiler chickens. In summary, the PK/PD ratios and Monte Carlo simulation were carried out for ENR-HCl in poultry, which due to its solubility was administered in drinking water. The PK/PD efficacy prediction indexes and Monte Carlo simulations indicated that the ENR-HCl oral dose used in this study is useful for bacterial infections in treating C. perfringens (Gram-positive), E. coli and S. ser. Enteritidis (Gram-negative) and M. gallisepticum bacteria responsible for systemic infections in poultry, predicting a success rate of 100% when MIC ≤ 0.06 μg/mL for E. coli and S. ser. Enteritidis and MIC ≤ 0.1 μg/mL for M. gallisepticum. For C. perfringens, the success rate was 98.26% for MIC ≤ 0.12. However, clinical trials are needed to confirm this recommendation.
Platelet Membrane Receptor Proteolysis: Implications for Platelet Function

The activities of adhesion and signaling receptors in platelets are controlled by several mechanisms. An important way of regulation is provided by proteolytic cleavage of several of these receptors, leading to either a gain or a loss of platelet function. The proteases involved are of different origins and types: (i) present as precursor in plasma, (ii) secreted into the plasma by activated platelets or other blood cells, or (iii) intracellularly activated and cleaving cytosolic receptor domains. We provide a comprehensive overview of the proteases acting on the platelet membrane. We describe how these are activated, which are their target proteins, and how their proteolytic activity modulates platelet functions. The review focuses on coagulation-related proteases, plasmin, matrix metalloproteinases, ADAM(TS) isoforms, cathepsins, caspases, and calpains. We also describe how the proteolytic activities are determined by different platelet populations in a thrombus and conversely how proteolysis contributes to the formation of such populations.
S204579602000102Xjra 1..12

Aims. There is compelling evidence for gradient effects of household income on school readiness. Potential mechanisms are described, yet the growth curve trajectory of maternal mental health in a child’s early life has not been thoroughly investigated. We aimed to examine the relationships between household incomes, maternal mental health trajectories from antenatal to the postnatal period, and school readiness. Methods. Prospective data from 505 mother–child dyads in a birth cohort in Singapore were used, including household income, repeated measures of maternal mental health from pregnancy to 2-years postpartum, and a range of child behavioural, socio-emotional and cognitive outcomes from 2 to 6 years of age. Antenatal mental health and its trajectory were tested as mediators in the latent growth curve models. Results. Household income was a robust predictor of antenatal maternal mental health and all child outcomes. Between children from the bottom and top household income quartiles, four dimensions of school readiness skills differed by a range of 0.52 (95% Cl: 0.23, 0.67) to 1.21 S.D. (95% CI: 1.02, 1.40). Thirty-eight percent of pregnant mothers in this cohort were found to have perinatal depressive and anxiety symptoms in the subclinical and clinical ranges. Poorer school readiness skills were found in children of these mothers when compared to those of mothers with little or no symptoms. After adjustment of unmeasured confounding on the indirect effect, antenatal maternal mental health provided a robust mediating path between household income and multiple school readiness outcomes (χ 126.05, df 63, p < 0.001; RMSEA = 0.031, CFI = 0.980, SRMR = 0.034). Conclusions. Pregnant mothers with mental health symptoms, particularly those from economically-challenged households, are potential targets for intervention to level the playing field of their children.
The Viral Janus: Viruses as Aetiological Agents and Treatment Options in Colorectal Cancer

In recent years, our understanding of the importance of microorganisms on and within our bodies has been revolutionized by the ability to characterize entire microbial communities. No more so is this true than in cases of disease. Community studies have revealed strong associations between microbial populations and disease states where such concomitance was previously absent from aetiology: including in cancers. The study of viruses, in particular, has benefited from the development of new community profiling techniques and we are now realising that their prominence within our physiology is nearly as broad as the diversity of the organisms themselves. Here, we examine the relationship between viruses and colorectal cancer (CRC), the leading cause of gastrointestinal cancer-related death worldwide. In CRC, viruses have been suggested to be involved in oncogenesis both directly, through infection of our cells, and indirectly, through modulating the composition of bacterial communities. Interestingly though, these characteristics have also led to their examination from another perspective—as options for treatment. Advances in our understanding of molecular and viral biology have caused many to look at viruses as potential modular biotherapeutics, where deleterious characteristics can be tamed and desirable characteristics exploited. In this article, we will explore both of these perspectives, covering how viral infections and involvement in microbiome dynamics may contribute to CRC, and examine ways in which viruses themselves could be harnessed to treat the very condition their contemporaries may have had a hand in creating.
Optical properties of AgGaSe2 polycrystalline films prepared by flash evaporation

Structural studies on AgGaSe2 films prepared in vacuum of 10-4 Pa onto glass or quartz substrates by a flash evaporation technique and annealed at 573 K for 2 h show that these films were polycrystalline and exhibited tetragonal chalcopyrite structure with a strong (112) orientation with a=0.599 nm, c=1.089 nm and (c/a)=1.816. The optical constants (the refractive index n, the absorption index k and the absorption coefficient varies as ) of polycrystalline AgGaSe2 films were determined from spectrophotometric measurements of the transmittance and reflectance carried out at normal incidence in the wavelength range 500-2000 nm. Graphical representations of surface and volume energy loss functions as well as the real optical conductivity as a function of photon energy show the existence of three possible optical transitions corresponding to 1.79, 1.95 and 2.2 eV respectively.
Optimum Harvesting Time of Four Mentha Species in Northern Finland

Abstract The effect of harvesting time on the quality and quantity of mint oils produced from plants grown in short summer and long-day climatic conditions of northern Finland (64°40′N and 25°E) was examined to determine what growth stage is best for cutting to obtain the highest possible biomass (herb yield), oil content and suitable oil composition. In the field experiment, plants cut only once at the end of August were compared with those of two cuttings. The first cut was at the beginning of August and the second cut in the middle of September. The mint species were Mentha piperita L. “peppermint”, M. canadensis “cornmint”, M. canadensis “Sakhalin mint” and M. spicata L. “spearmint. ”
1H‐Phenalen‐1‐one: Photophysical Properties and Singlet‐Oxygen Production

The efficiency of aromatic ketones as singlet-oxygen (1O2(1Δg)) sensitizers can vary considerably with the electronic configuration of their lowest triplet state and the solvent used. Near-infrared measurements of tie luminescence of singlet oxygen have shown that the quantum yield of singlet-oxygen production (ΦΔ) by 1H-phenalen-1-one (1) is close to unity in both polar (ΦΔ = 0.97±0.03 in methanol) and non-polar solvents (ΦΔ = 0.93±0.04 in benzene). Analysis of the absorption spectra of the ground state and phosphorescence measurements show that the lowest singlet and triplet states have dominant π, π* electronic configurations. The quantum yield of intersystem crossing (ΦISC) of 1, determined by laser flash photolysis (partial-saturation method), is equal to unity. In comparison with other aromatic ketones, these parameters are important for the discussion of the surprisingly high ΦISC of 1 and the efficient energy transfer from its triplet state to molecular oxygen. The 1H-phenalen-1-one (1), being one of the most efficient singlet-oxygen sensitizers in both polar and non-polar media, could be used as a reference sensitizer, in particular in the area of relatively high energies of excitation.
Determination of water diffusion coefficients in perfluorosulfonate ionomeric membranes

Pulsed field gradient spin-echo 1 H NMR measurements of 1 H intradiffusion coefficients at 30 o C in hydrated Nafion membranes are reported. The dependence of the 1 H self-diffusion coefficient on membrane water content was a central part of this investigation. 1 H diffusion coefficients ranged from 0.6×10 −6 to 5.8×10 −6 cm 2 /s for the range of membrane water content 2-14 water molecules per sulfonate
Motility of Metal Nanoparticles in Silicon and Induced Anisotropic Silicon Etching

The autonomous motion behavior of metal particles in Si, and the consequential anisotropic etching of silicon and production of Si nanostructures, in particular, Si nanowire arrays in oxidizing hydrofluoric acid solution, has been systematically investigated. It is found that the autonomous motion of metal particles (Ag and Au) in Si is highly uniform, yet directional and preferential along the [100] crystallographic orientation of Si, rather than always being normal to the silicon surface. An electrokinetic model has been formulated, which, for the first time, satisfactorily explains the microscopic dynamic origin of motility of metal particles in Si. According to this model, the power generated in the bipolar electrochemical reaction at a metal particle's surface can be directly converted into mechanical work to propel the tunneling motion of metal particles in Si. The mechanism of pore and wire formation and their dependence on the crystal orientation are discussed. These models not only provide fundamental interpretation of metal‐induced formation of pits, porous silicon, and silicon nanowires and nanopores, they also reveal that metal particles in the metal/Si system could work as a self‐propelled nanomotor. Significantly, it provides a facile approach to produce various Si nanostructures, especially ordered Si nanowire arrays from Si wafers of desired properties.
Effects of transport stress and electrolyte supplementation on body fluids and weights of bulls

The effects of offering water (W) or an electrolyte solution (E) or neither (control; C) on the manifestation of transportation stress were examined in sixty-five 550-kg crossbred bulls. Following a 4-h (150-km) transport treatment serum electrolytes as well as live animal, carcass, and rumen content weights were monitored on all animals. In addition, intravenous injections of sodium thiocyanate and T-1824 dyes were used to examine extracellular (ECF) and plasma (PV) volumes in 10 (4 control, 3 water, and 3 electrolyte treatment) of the animals. The lowest carcass yield occurred in bulls denied access to both water and electrolytes during transport and the following (18 h) in lairage. Hot carcass yield (g kg−1 of final farm wt) for the C, E and W groups were 577.9 (57.8%) ± 3.8a, 597.5 (59.8%) ± 4.1b, and 589.4 (58.9%) ± 3.8b, respectively (P ≤ 0.05). The control (C) animals also had the lowest ECF volume (92.5, 127.9, and 142.3 liters for C, E and W, respectively). The effectiveness of water and electrol.
Crystal structure of bis[(1,3-bis(4-pyridinium)propane)]-[ß-hexacosaoxooctamolybdate(VI)],(C13H16N2)2[Mo8O26]

Source of material Yellow block-shaped crystals of the title compound were obtained by hydrothermal reaction of C0CI2 · 6H2O (0.2 mmol, 0.0476 g), l,3-bis(4-pyridyl)propane (0.4 mmol, 0.0792 g), M0O3 (0.40 mmol, 0.0580 g), and water (15 mL) in a 23 mL Teflon-lined reaction vessel at 140 °C for 72 h (yield 91 % based on initial M0O3 input). C0CI2 acts probably as catalyst, the synthesis did not succeed without this compound.
PASCal: a principal axis strain calculator for thermal expansion and compressibility determination

This article describes a web-based tool (PASCal; principal axis strain calculator; http://pascal.chem.ox.ac.uk) designed to simplify the determination of principal coefficients of thermal expansion and compressibilities from variable-temperature and variable-pressure lattice parameter data. In a series of three case studies, PASCal is used to reanalyse previously published lattice parameter data and show that additional scientific insight is obtainable in each case. First, the two-dimensional metal–organic framework [Cu2(OH)(C8H3O7S)(H2O)]·2H2O is found to exhibit the strongest area negative thermal expansion (NTE) effect yet observed; second, the widely used explosive HMX exhibits much stronger mechanical anisotropy than had previously been anticipated, including uniaxial NTE driven by thermal changes in molecular conformation; and third, the high-pressure form of the mineral malayaite is shown to exhibit a strong negative linear compressibility effect that arises from correlated tilting of SnO6 and SiO4 coordination polyhedra.
Electrochemical Characterization of the Surface Area of Nanoporous Gold Films

The surface area of nanoporous gold films of thickness up to 930 nm and with a pore size of approximately 30 nm was characterized by various electrochemical methods, including Cu underpotential deposition (UPD), surface Au oxidation/reduction reaction, and electrochemical impedance spectroscopy (EIS). The different approaches provide surface area values that are comparable and, in all cases, linearly increasing with thickness. However, whereas Cu UPD and Au oxidation/reduction methods yielded surface area values in good quantitative agreement, estimates based on EIS measurements were found to be 1.5-1.75 times larger. This discrepancy is tentatively attributed to the high curvature of the nanoporous samples that may cause differences in the density of adsorption sites and/or specific capacitance with respect to planar surfaces.
Background correction in XPS: Comparison of validity of different methods

We investigate the validity of methods for background correction in XPS by comparing determined peak intensity ratios with theory. For Ag, Pt and Au, peaks are considered for which possible errors in the inelastic electron mean free path and in the energy dependence of the analyser response function have minimal influence on the accuracy of the theoretical ratios. The straight line method for background correction in XPS by comparing determined peak intensity ratios with theory
Cosolvent effects on sorption of organic acids by soils from mixed solvents

Sorption of substituted phenols and carboxylic acids by soils was measured from methanol/water solutions. These data were used to assess a cosolvency model that incorporated changes in organic acid speciation as a function of soil-solution pH and the conditional pK a values observed in mixed solvents. For the chlorophenols, the cosolvency model with speciation adequately described the log-linear decrease in sorption with increasing volume fraction cosolvent (f c )
Polyelectrolyte-enhanced ultrafiltration of chromate, sulfate, and nitrate

Polyelectrolyte-enhanced ultrafiltration (PEUF) involves addition of a polyelectrolyte of opposite charge to that of the multivalent ions to be removed from the contaminated water. In this study, a water-soluble polyelectrolyte, poly(diallyldimethyl ammonium chloride) or QUAT is added to the aqueous solutions containing divalent anions chromate or sulfate. Removal of monovalent anion nitrate is also studied to probe the effect of valence. The water is then passed through an ultrafiltration membrane with pore size small enough to reject the polyelectrolyte with the bound target ions. The rejection of anions increases with increasing concentration ratio of QUAT to anion. A high QUAT concentration in the retentate decreases relative flux due to accumulation of polyelectrolyte near the membrane surface (hydrodynamic boundary layer). Rejections of chromate and sulfate are similar and >98% at reasonable operating conditions. Rejection of nitrate is substantially below that of the divalent anions, but can be as high as 97% under feasible operating conditions. The gel concentration (where flux approaches zero) of the QUAT varied from 5.1 to 8.1 wt%.
Aerodynamic Diameters and Respiratory Deposition Estimates of Viable Fungal Particles in Mold Problem Dwellings

The aerodynamic size distributions of particles of major fungal genera or groups, i.e., Penicillium, Cladosporium, Aspergillus, and yeasts, were studied in real exposure situations in mold problem and reference dwellings. A new calculation method was used to estimate respiratory deposition of fungal particles on the basis of the measured data. The major fungal genera had their maximum concentrations in the size range 2.1–3.3 (μ. m, where alveolar deposition for particles > 0.5 μm also has a maximum. According to respiratory deposition calculations for the most obvious breathing patterns in the home environment, 30%–50% of fungal particles would be deposited in the nose and 30%–40% in the alveoli during nasal breathing, whereas 70% would be deposited in the alveoli during oral breathing. More Aspergillus species spores were estimated to deposit in the alveoli for occupants of mold problem versus reference dwellings whereas for yeasts the situation was reversed. Comparison of airborne fungal particle concent.
Theoretical study of molecular structures and properties of the complete series of chlorophenols

Density functional theory and ab initio molecular orbital calculations have been carried out to investigate the molecular structures and properties of all 19 chlorophenol congeners. The results have been delineanated systematically in terms of the position and the total number of chlorine substitutions. Intramolecular hydrogen bonding in ortho chlorophenols and the induction by the electron-withdrawing chlorine are identified as strongly affecting the stability, structure, and properties of these compounds. Ortho chlorophenols are found to be more stable than other isomers as a result of intramolecular hydrogen bonding. Correlations between the known acidities of chlorophenols and the molecular structures are presented. Ortho chlorophenols are more acidic than other isomers because of the large inductive effect of chlorine on the hydroxyl group in close proximity. For the same reason, the acidity of a chlorophenol increases with the number of chlorine substitutions. Major trends and variations in molecula.
Use of SECM to compare corrosion resistance of DIN W. Nr. 1·4460 high N and AISI 316L austenitic stainless steels in physiological solutions

The pitting corrosion resistance of DIN W. Nr. 1·4460 stainless steel (SS) with high amounts of nitrogen (0·87%) was evaluated to be used for medical implants. The SS pitting corrosion resistance was tested in a minimum essential medium at 37°C by electrochemical impedance spectroscopy and potentiodynamic polarisation curves and in a 0·1 mol L−1 NaCl solution at 25°C, by scanning electrochemical microscopy. This last technique measures the concentration of chemical species released by corrosion processes. The potential of an ultramicroelectrode was set to amperometrically detect the Fe2+ ions released at the anodic areas and also the depletion of oxygen due to the cathodic reactions in the vicinity of the cathodic areas. The AISI 316L stainless steel was also tested for comparison reasons. The results showed that the DIN W. Nr. 1·4460 with 0·87% nitrogen presents higher pitting corrosion resistance than the AISI 316L SS, being a potential candidate for biomaterial applications.
Preparation and catalytic properties of single phase Ni–Sn intermetallic compound particles by CVD of Sn(CH3)4 onto Ni/silica

Particles of each of the single phase Ni–Sn intermetallic compounds Ni3Sn, Ni3Sn2 and Ni3Sn4 have been formed on silica by chemical vapor deposition (CVD) of Sn(CH3)4 onto Ni/SiO2 and used as catalysts for cyclohexane dehydrogenation.
Extraordinary mechanical properties of monatomic C3N2 chain

One-dimensional monatomic chains are promising candidates for technical applications in the field of nanoelectronics due to their unique mechanical, electrical and optical properties. In particular, we investigate the mechanical properties including Young's modulus, ultimate strength and ultimate strain, which are necessities for the stability of the materials by the Car–Parrinello molecular dynamics in this work. The comparative studies for the alternating carbon-nitrogen (C3N2) chain and carbon chains (carbyne) of different lengths show that the carbon-nitrogen (C–N) chain is obviously stronger and stiffer than carbynes. Thus the C–N chain, which has been found in decomposition products of the nitromethane explosive simulations, could be a superior nano-mechanical material than the carbyne chain. Furthermore, it is found that the bond order of weakest bond in monatomic chains is positively correlated with Young's modulus and ultimate strength of materials.
Description of X-ray powder pattern of turbostratically disordered layer structures with a Rietveld compatible approach

Abstract We address the problem of the quantitative description of X-ray powder pattern of turbostratically disordered layer compounds. The Debye formula is used, which allows the aperiodic description of any arrangement of atoms. With the extension of Yang and Frindt (1996) for the ideal turbostratic case, these calculations are used to generate reference data that are subsequently treated by the Rietveld method. We are able to show that the case of uncorrelated turbostratic disorder can be modelled equally well in a periodic supercell approach with a single layer in the supercell that is suitable for the Rietveld technique. A brief introduction of this new model was given as an oral contribution at EUROCLAY 2003 (Ufer et al., 2003). The fundamental principles are described in this article because of its complexity. The applicability of this approach to real systems is demonstrated for smectite and corundum mixtures.