Plasma Estradiol Profile After Administration of Different Types of Estradiol Esters in Acyclic Mares.

Although the use of different estradiol esters has been extensively studied in hormonal protocols in cows, such information is lacking in mares. The present study aimed to assess the effects of treatment with the same doses and administration frequency of estradiol cypionate, estradiol benzoate and 17β estradiol on plasma estradiol (E2) concentrations of acyclic mares and correlate the E2 profile to the endometrial edema score. Sixteen treatments were performed in 14 mares randomly divided into three groups: EB (n = 5), EC (n = 5), and 17β (n = 6), receiving 10 mg on day 0 (D0), 6 mg on D1, and 4 mg on D2 of estradiol benzoate, estradiol cypionate, and estradiol 17β, respectively.

Ether-Functionalized Sulfonium Ionic Liquid and Its Binary Mixtures with Acetonitrile as Electrolyte for Electrochemical Double Layer Capacitors: A Molecular Dynamics Study.

Ether-functionalized sulfonium ionic liquids have been investigated as promising electrolytes in electrochemical storage energy devices due to their wide electrochemical window, high ionic conductivity, and low viscosity. In spite of that, the viscosity of neat ionic liquids is still high for supercapacitor applications. Here, we have used atomistic molecular dynamics simulations to describe transport properties, structure, and supercapacitor performance of (2-methoxyethyl)ethylmethylsulfonium bis(trifluoromethanesulfonyl)imide [S][NTf] and its mixtures with acetonitrile (ACN).

Molecular Dynamics Simulations of Polymer-Ionic Liquid (1-Ethyl-3-methylimidazolium Tetracyanoborate) Ternary Electrolyte for Sodium and Potassium Ion Batteries.

We have performed molecular dynamics (MD) simulations of 1-ethyl-3-methylimidazolium tetracyanoborate ([EMIM][B(CN)]) ionic liquid to investigate the impact of addition of Na/K[B(CN)] salts and poly(ethylene oxide) (PEO) on transport properties. These ternary mixtures are promising electrolyte materials for Na-ion and K-ion batteries as alternatives to the traditional Li-ion ones. In addition, local structure was assessed through radial distribution functions.

Molecular dynamics simulations of polyethers and a quaternary ammonium ionic liquid as CO absorbers.

The properties of mixtures of butyltrimethylammonium bis(trifluoromethylsulfonyl)imide, [N][NTf], with poly(ethyleneglycol) dimethyl ether, PEO, were described as a function of PEO chain size by molecular dynamics simulations. Both PEO chain size and mixture composition revealed to play a significant role in determining the structure and the dynamics of the fluids. The remarkably higher viscosity observed for mixtures composed by 0.

Molecular dynamics and a spectroscopic study of sulfur dioxide absorption by an ionic liquid and its mixtures with PEO.

An investigation comprising experimental techniques (absorption capacity of SO and vibrational spectroscopy) and molecular simulations (thermodynamics, structure, and dynamics) has been performed for the polymer poly(ethylene oxide) (PEO), the ionic liquid butyltrimethylammonium bis(trifluoromethylsulfonyl)imide ([N][TfN]) and their mixtures as sulfur dioxide (SO) absorbing materials. The polymer PEO has higher capacity to absorb SO than the neat ionic liquid, whereas the mixtures presented intermediary absorption capacities. The band assigned to the symmetric stretching band of SO at ca.

Mechanism of Action of Thymol on Cell Membranes Investigated through Lipid Langmuir Monolayers at the Air-Water Interface and Molecular Simulation.

A major challenge in the design of biocidal drugs is to identify compounds with potential action on microorganisms and to understand at the molecular level their mechanism of action. In this study, thymol, a monoterpenoid found in the oil of leaves of Lippia sidoides with possible action in biological surfaces, was incorporated in lipid monolayers at the air-water interface that represented cell membrane models. The interaction of thymol with dipalmitoylphosphatidylcholine (DPPC) at the air-water interface was investigated by means of surface pressure-area isotherms, Brewster angle microscopy (BAM), polarization-modulation reflection-absorption spectroscopy (PM-IRRAS), and molecular dynamics simulation.

Structure of tetraalkylammonium ionic liquids in the interlayer of modified montmorillonite.

We perform molecular dynamics simulations of tetraalkylammonium ionic liquids confined in the interlayer of montmorillonite (MMT). We study the structure and energetics of the systems, which consist of cations with two different alkyl chain lengths and several ionic liquid concentrations. The results we obtained for the structure, namely the presence of a strong layering in all systems and the formation of nonpolar domains with interdigitated alkyl chains in some cases, are largely consistent with previous surface force balance experiments performed on similar systems.

Probing the local environment of hybrid materials designed from ionic liquids and synthetic clay by Raman spectroscopy.

Hybrid organic-inorganic material containing Laponite clay and ionic liquids forming cations have been prepared and characterized by FT-Raman spectroscopy, X-ray diffraction, and thermal analysis. The effect of varying the length of the alkyl side chain and conformations of cations has been investigated by using different ionic liquids based on piperidinium and imidazolium cations. The structure of the N,N-butyl-methyl-piperidinium cation and the assignment of its vibrational spectrum have been further elucidated by quantum chemistry calculations.

The equilibrium structure of lithium salt solutions in ether-functionalized ammonium ionic liquids.

Molecular dynamics simulations have been performed for ionic liquids based on a ternary mixture of lithium and ammonium cations and a common anion, bis(trifluoromethylsulfonyl)imide, [Tf(2)N](-). We address structural changes resulting from adding Li(+) in ionic liquids with increasing length of an ether-functionalized chain in the ammonium cation. The calculation of static structure factors reveals the lithium effect on charge ordering and intermediate range order in comparison with the neat ionic liquids.

From molten salts to room temperature ionic liquids: simulation studies on chloroaluminate systems.

An interaction potential including chloride anion polarization effects, constructed from first-principles calculations, is used to examine the structure and transport properties of a series of chloroaluminate melts. A particular emphasis was given to the study of the equimolar mixture of aluminium chloride with 1-ethyl-3-methylimidazolium chloride, which forms a room temperature ionic liquid EMI+ -AlCl4-. The structure yielded by the classical simulations performed within the framework of the polarizable ion model is compared to the results obtained from entirely electronic structure-based simulations: An excellent agreement between the two flavors of molecular dynamics is observed.

Charge ordering and intermediate range order in ammonium ionic liquids.

Molecular dynamics simulations were performed for ionic liquids based on the bis(trifluoromethylsulfonyl)imide anion, [NTf(2)], and ammonium cations with increasing length of the alkyl chain and ether functionalized chain. The signature of charge ordering is a sharp peak in the charge-charge structure factor, S(qq)(k), whose intensity is barely affected for longer carbon chain in tetraalkylammonium systems, but decreases in ether functionalized ionic liquids. The first sharp diffraction peak (FSDP) and the corresponding intermediate range order (IRO) are observed in the total S(k) of ionic liquids containing ammonium cations with relatively long chains.

Microbiological quality of drinking rainwater in the inland region of Pajeú, Pernambuco, Northeast Brazil.

Despite all efforts to store and reduce its consumption, water is becoming less inexhaustible and its quality is falling faster. Considering that water is essential to animal life, it is necessary to adopt measures to ensure its sanitary conditions in order to be fit for consumption. The aim of this study was to analyze the microbiological quality of drinking rainwater used by rural communities of Tuparetama, a small town located in Northeast Brazil.

Effect of SO2 on the transport properties of an imidazolium ionic liquid and its lithium solution.

Transport coefficients have been measured as a function of the concentration of sulfur dioxide, SO(2), dissolved in 1-butyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide, [BMMI][Tf(2)N], as well as in its lithium salt solution, Li[Tf(2)N]. The SO(2) reduces viscosity and density and increases conductivity and diffusion coefficients in both the neat [BMMI][Tf(2)N] and the [BMMI][Tf(2)N]-Li[Tf(2)N] solution. The conductivity enhancement is not assigned to a simple viscosity effect; the weakening of ionic interactions upon SO(2) addition also plays a role.

[Nutritional status, lifestyle and cardiovascular risk in lacto-ovo vegetarians and omnivore].

The aim of the present study was to assess socioeconomic characteristics, dietary intake, nutritional status and cardiovascular risk (using anthropometric indicators of central obesity) in lacto-ovo vegetarians and non-vegetarians. Two non-vegetarians were selected for each vegetarian (paired for gender and age) in order to increase the power of the statistical tests. The sample was made up of 87 individuals (58.

[Microbiological evaluation of drinking water used in feeding units].

The water for human consumption is the main vehicle for the transmission of pathogens that are capable of causing enteric parasitic diseases; therefore, its microbiological control is vital. This work had the purpose of evaluating the bacteriological quality of drinking water, in terms of the presence of total and thermotolerant coliforms, in different Feeding Units in the city of Recife, Pernambuco State, according to the potableness standards established by Ordinance No. 518 of 2004 of the Brazilian Ministry of Health/ANVISA.

Alkoxy chain effect on the viscosity of a quaternary ammonium ionic liquid: molecular dynamics simulations.

The viscosity of ionic liquids based on quaternary ammonium cations is reduced when one of the alkyl chains is replaced by an alkoxy chain ( Zhou et al. Chem. Eur.

Shielding of ionic interactions by sulfur dioxide in an ionic liquid.

The effect of adding SO2 on the structure and dynamics of 1-butyl-3-methylimidazolium bromide (BMIBr) was investigated by low-frequency Raman spectroscopy and molecular dynamics (MD) simulations. The MD simulations indicate that the long-range structure of neat BMIBr is disrupted resulting in a liquid with relatively low viscosity and high conductivity, but strong correlation of ionic motion persists in the BMIBr-SO2 mixture due to ionic pairing. Raman spectra within the 5 View Article and Find Full Text PDF

Transport coefficients, Raman spectroscopy, and computer simulation of lithium salt solutions in an ionic liquid.

Lithium salt solutions of Li(CF3SO2)2N, LiTFSI, in a room-temperature ionic liquid (RTIL), 1-butyl-2,3-dimethyl-imidazolium cation, BMMI, and the (CF3SO2)2N(-), bis(trifluoromethanesulfonyl)imide anion, [BMMI][TFSI], were prepared in different concentrations. Thermal properties, density, viscosity, ionic conductivity, and self-diffusion coefficients were determined at different temperatures for pure [BMMI][TFSI] and the lithium solutions. Raman spectroscopy measurements and computer simulations were also carried out in order to understand the microscopic origin of the observed changes in transport coefficients.

Molecular dynamics simulation of the ionic liquid N-ethyl-N,N-dimethyl-N-(2-methoxyethyl)ammonium bis(trifluoromethanesulfonyl)imide.

Thermodynamics, structure, and dynamics of an ionic liquid based on a quaternary ammonium salt with ether side chain, namely, N-ethyl-N,N-dimethyl-N-(2-methoxyethyl)ammonium bis(trifluoromethanesulfonyl)imide, MOENM2E TFSI, are investigated by molecular dynamics (MD) simulations. Average density and configurational energy of simulated MOENM2E TFSI are interpreted with models that take into account empirical ionic volumes. A throughout comparison of the equilibrium structure of MOENM2E TFSI with previous results for the more common ionic liquids based on imidazolium cations is provided.

The sulfur dioxide-1-butyl-3-methylimidazolium bromide interaction: drastic changes in structural and physical properties.

The contact between minor amounts of SO2 and crystalline 1-butyl-3-methyl-imidazolium bromide (BMIBr) causes the almost immediate melting of the ionic liquid (mp 45 degrees C) as well as a dramatic decrease in its viscosity in comparison to the pure molten phase. The same behavior was observed for other halide ionic liquids of higher melting points (70, 135, and 220 degrees C). The Raman spectrum of BMIBr-SO2 clearly indicates a specific charge transfer interaction involving SO2 and the halide.

Prognostic criteria of success and recurrence in circumferential ablation for the treatment of atrial fibrillation.

Objectives: To analyze the success of circumferential ablation of atrial fibrillation and to investigate possible clinical and electroanatomic predictors of recurrence of cardiac arrhythmia.

Methods: 104 consecutive patients free of structural heart disease and refractory to at least two antiarrhythmic drugs, and undergoing circumferential ablation for the treatment of paroxysmal/persistent atrial fibrillation were analyzed. Seventy two patients were males and the mean age of the group was 58.

Clinical follow-up of patients with implantable cardioverter-defibrillator.

Objective: To report appropriate (AT) and inappropriate (IT) ICD therapies in patients with ischemic and nonischemic heart disease, as well as early and late procedure-related complications.

Methods: One hundred and fifty-five patients (119 male and 36 female), mean age 47 years (21-88), who underwent ICD implantation between 1994 and March 2003 were analyzed. Patients were divided into the following groups: Group I--Post-AMI patients (n = 80); Group II--Patients with nonischemic heart disease and LV ejection fraction < 40% (n = 45), Chagas disease (n = 18), idiopathic dilated cardiomyopathy (n= 12), hypertensive disease (n = 8), hypertrophic cardiomyopathy (n = 4) and valvular heart disease (n = 3); Group III--Patients with arrhythmogenic right ventricular dysplasia (n = 13); and Group IV--Patients with channelopathies: Brugada Syndrome (n = 8) and idiopathic ventricular arrhythmias (n = 9).

Molecular dynamics simulation of the polymer electrolyte poly(ethylene oxide)/LiClO(4). II. Dynamical properties.

The dynamical properties of the polymer electrolyte poly(ethylene oxide) (PEO)LiClO(4) have been investigated by molecular dynamics simulations. The effect of changing salt concentration and temperature was evaluated on several time correlation functions. Ionic displacements projected on different directions reveal anisotropy in short-time (rattling) and long-time (diffusive) dynamics of Li(+) cations.

Intra-His bundle block. Clinical, electrocardiographic, and electrophysiologic characteristics.

Objective: To assess the clinical, electrocardiographic, and electrophysiologic characteristics of patients (pt) with intra-His bundle block undergoing an electrophysiologic study (EPS).

Methods: We analyzed the characteristics of 16 pt with second-degree atrioventricular block and symptoms of syncope or dyspnea, or both, undergoing conventional EPS.

Results: Intra-His bundle block was documented in 16 pt during an EPS.

Potential tuberculostatic agents. Topliss application on benzoic acid [(5-nitro-thiophen-2-yl)-methylene]-hydrazide series.

Nitroaromatic compounds such as nifuroxazide are used in many human enteropathogenic bacteria infections without causing an increase in the plasmidial antibiotic resistance of the aerobic Gram-negative intestinal Enterobacteriaceae. For these reasons, these compounds have been synthesized using the rational approach of Topliss' decision tree. Generally, this approach allows us to obtain the most active derivative from the series in a few steps.