52 resultados para Inherent chirality


Relevância:

10.00% 10.00%

Publicador:

Resumo:

Modeling of water movement in non-saturated soil usually requires a large number of parameters and variables, such as initial soil water content, saturated water content and saturated hydraulic conductivity, which can be assessed relatively easily. Dimensional flow of water in the soil is usually modeled by a nonlinear partial differential equation, known as the Richards equation. Since this equation cannot be solved analytically in certain cases, one way to approach its solution is by numerical algorithms. The success of numerical models in describing the dynamics of water in the soil is closely related to the accuracy with which the water-physical parameters are determined. That has been a big challenge in the use of numerical models because these parameters are generally difficult to determine since they present great spatial variability in the soil. Therefore, it is necessary to develop and use methods that properly incorporate the uncertainties inherent to water displacement in soils. In this paper, a model based on fuzzy logic is used as an alternative to describe water flow in the vadose zone. This fuzzy model was developed to simulate the displacement of water in a non-vegetated crop soil during the period called the emergency phase. The principle of this model consists of a Mamdani fuzzy rule-based system in which the rules are based on the moisture content of adjacent soil layers. The performances of the results modeled by the fuzzy system were evaluated by the evolution of moisture profiles over time as compared to those obtained in the field. The results obtained through use of the fuzzy model provided satisfactory reproduction of soil moisture profiles.

Relevância:

10.00% 10.00%

Publicador:

Resumo:

ABSTRACT Groundwater management depends on the knowledge on recharge rates and water fluxes within aquifers. The recharge is one of the water cycle components most difficult to estimate. As a result, despite the chosen method, the estimates are subject to uncertainties that can be identified by means of comparison with other approaches. In this study, groundwater recharge estimates based on the water balance in the unsaturated zone is assessed. Firstly, the approach is evaluated by comparing the results with those of another method. Then, the estimates are used as inputs in a transient groundwater flow model in order to assess how the water table would respond to the obtained recharges rates compared to measured levels. The results suggest a good performance of the adopted approach and, despite some inherent limitations, it has advantages over other methods since the data required are easier to obtain.

Relevância:

10.00% 10.00%

Publicador:

Resumo:

Land use/cover classification is one of the most important applications in remote sensing. However, mapping accurate land use/cover spatial distribution is a challenge, particularly in moist tropical regions, due to the complex biophysical environment and limitations of remote sensing data per se. This paper reviews experiments related to land use/cover classification in the Brazilian Amazon for a decade. Through comprehensive analysis of the classification results, it is concluded that spatial information inherent in remote sensing data plays an essential role in improving land use/cover classification. Incorporation of suitable textural images into multispectral bands and use of segmentation‑based method are valuable ways to improve land use/cover classification, especially for high spatial resolution images. Data fusion of multi‑resolution images within optical sensor data is vital for visual interpretation, but may not improve classification performance. In contrast, integration of optical and radar data did improve classification performance when the proper data fusion method was used. Among the classification algorithms available, the maximum likelihood classifier is still an important method for providing reasonably good accuracy, but nonparametric algorithms, such as classification tree analysis, have the potential to provide better results. However, they often require more time to achieve parametric optimization. Proper use of hierarchical‑based methods is fundamental for developing accurate land use/cover classification, mainly from historical remotely sensed data.

Relevância:

10.00% 10.00%

Publicador:

Resumo:

Guava response to liming and fertilization can be monitored by tissue testing. Tissue nutrient signature is often diagnosed against nutrient concentration standards. However, this approach has been criticized for not considering nutrient interactions and to generate numerical biases as a result of data redundancy, scale dependency and non-normal distribution. Techniques of compositional data analysis can control those biases by balancing groups of nutrients, such as those involved in liming and fertilization. The sequentially arranged and orthonormal isometric log ratios (ilr) or balances avoid numerical bias inherent to compositional data. The objectives were to relate tissue nutrient balances with the production of "Paluma" guava orchards differentially limed and fertilized, and to adjust the current patterns of nutrient balance with the range of more productive guava trees. It was conducted one experiment of 7-yr of liming and three experiments of 3-yr with N, P and K trials in 'Paluma' orchards on an Oxisol. Plant N, P, K, Ca and Mg were monitored yearly. It was selected the [N, P, K | Ca, Mg], [N, P | K], [N | P] and [Ca | Mg] balances to set apart the effects of liming (Ca-Mg) and fertilizers (N-K) on macronutrient balances. Liming largely influenced nutrient balances of guava in the Oxisol while fertilization was less influential. The large range of guava yields and nutrient balances allowed defining balance ranges and comparing them with the critical ranges of nutrient concentration values currently used in Brazil and combined into ilr coordinates.

Relevância:

10.00% 10.00%

Publicador:

Resumo:

Whole-body imaging in children was classically performed with radiography, positron-emission tomography, either combined or not with computed tomography, the latter with the disadvantage of exposure to ionizing radiation. Whole-body magnetic resonance imaging (MRI), in association with the recently developed metabolic and functional techniques such as diffusion-weighted imaging, has brought the advantage of a comprehensive evaluation of pediatric patients without the risks inherent to ionizing radiation usually present in other conventional imaging methods. It is a rapid and sensitive method, particularly in pediatrics, for detecting and monitoring multifocal lesions in the body as a whole. In pediatrics, it is utilized for both oncologic and non-oncologic indications such as screening and diagnosis of tumors in patients with genetic syndromes, evaluation of disease extent and staging, evaluation of therapeutic response and post-therapy follow-up, evaluation of non neoplastic diseases such as multifocal osteomyelitis, vascular malformations and syndromes affecting multiple regions of the body. The present review was aimed at describing the major indications of whole-body MRI in pediatrics added of technical considerations.

Relevância:

10.00% 10.00%

Publicador:

Resumo:

Abstract Solitary pulmonary nodule corresponds to a common radiographic finding, which is frequently detected incidentally. The investigation of this entity remains complex, since characteristics of benign and malignant processes overlap in the differential diagnosis. Currently, many strategies are available to evaluate solitary pulmonary nodules with the main objective of characterizing benign lesions as best as possible, while avoiding to expose patients to the risks inherent to invasive methods, besides correctly detecting cases of lung cancer so as the potential curative treatment is not delayed. This first part of the study focuses on the epidemiology, the morfological evaluation and the methods to determine the likelihood of cancer in cases of indeterminate solitary pulmonary nodule.

Relevância:

10.00% 10.00%

Publicador:

Resumo:

The thalidomide disaster, in the 60,s, is the most painful reminder of the importance of chirality for biological activity. After this episode, much attention has been devoted to study the correlations between toxicological and pharmacological properties and chirality. Actualy, to get a licence for a new chiral drug in EUA, European community and Japan, it is necessary to study the biological properties of each enatiomer independently. This article presents an overview about the importance of the chirality of organic compounds and its relationships with biological activity, asymmetric synthetic methodologies and market.

Relevância:

10.00% 10.00%

Publicador:

Resumo:

The concepts of stereochemistry and chirality are introduced, and the ability to distinguish among the different receptors caused by one stereoselective action against chiral drugs is presented. The importance of the behaviour of chiral drugs is emphasized.

Relevância:

10.00% 10.00%

Publicador:

Resumo:

This article discusses the processes inherent in the production of salpeter in Colonial Brazil. In the main, the texts seen here present recipes accompanied by chemical explanations of the processes which denote a knowledge of science at the time. Various difficulties confronting the authors, however, prevented an effective contribution to the development of techniques for the production of salpeter. Consequenttly, at the end of the Nineteenth Century, Brazilian rulers are still facing many problems to obtain this precious material.

Relevância:

10.00% 10.00%

Publicador:

Resumo:

The asymmetric Michael addition reactions using chiral imines, under neutral conditions (deracemizing alkylation process), constitute one of the main methods for the stereocontrolled elaboration of quaternary carbon centers. This protocol is based on the conjugate addition of secondary chiral enamines to electron-deficient alkenes. The focus of this report deals with the discussion of regio- and stereochemical aspects of the deracemizing alkylation process concerning enamines bearing a resident chiral center.

Relevância:

10.00% 10.00%

Publicador:

Resumo:

This study concerns certain problems inherent to the determination of fat-soluble vitamins in food, from extraction methods to identification and quantification. The discussion involves the main official and unofficial extraction methods coupled with spectrophotometric and HPLC techniques in which vitamins samples are obtained through liquid-liquid-solid and liquid-liquid-solid-solid extraction, indispensable to the analytical separation of different chemical compounds with vitamin functions. A saponification stage, possibly coupled with supercritical fluid extraction appears to be mandatory in the determination of vitamins A and E in their alcoholic forms. Alternative identification and quantification procedures are outlined: biological and chemical assays, analytical separations by HPLC (normal and reversed-phase), UV detection (all fat-soluble vitamins) and fluorescence detection (retinoids and tocopherols). Automation from sample preparation to quantification stages increases the data acquisition rate.

Relevância:

10.00% 10.00%

Publicador:

Resumo:

The chemotherapy agents against cancer may be classified as "cell cycle-specific" or "cell cycle-nonspecific". Nevertheless, several of them have their biological activity related to any kind of action on DNA such as: antimetabolic agents (DNA synthesis inhibition), inherently reactive agents (DNA alkylating electrophilic traps for macromolecular nucleophiles from DNA through inter-strand cross-linking - ISC - alkylation) and intercalating agents (drug-DNA interactions inherent to the binding made due to the agent penetration in to the minor groove of the double helix). The earliest and perhaps most extensively studied and most heavily employed clinical anticancer agents in use today are the DNA inter-strand cross-linking agents.

Relevância:

10.00% 10.00%

Publicador:

Resumo:

Electrochemical sensors have attracted considerable attention in recent years because they provide data about the chemical state of our surroundings and the dynamics of the chemical transformations in the form a spatially resolved image. Particular interest has been directed to measurements in restricted-volume samples as new technologies enable the fabrication of miniaturized versions of sensors with reproducible characteristics. Taking these aspects into consideration, this review focuses on the use of electrodes of micrometer dimensions to acquire chemical information in microdomains in which concentrations may not be spatially homogeneous. This is possible because microelectrodes allow fast-response measurements with micrometer resolution to be performed. On the other hand, the use of microelectrodes as amperometric sensors presents an inherent drawback owing to the insufficient specificity toward the substrate of interest. Hence, some comments on strategies to enhance the selectivity of amperometric sensors are also made. Finally, recent applications of structurally microscopic electrodes as in vivo sensors are shown, as well as a prospect of the future trend in this field.

Relevância:

10.00% 10.00%

Publicador:

Resumo:

Atropisomerism is a special kind of stereoisomeric relationship that arises from the freezing of a certain conformation of an organic molecule, associated with a high rotational barrier about a single covalent bond. Atropisomerism has been originally described in orto-functionalyzed biphenyl derivatives, but a lot of other organic functionalities can present this structural phenomenon, characterized by the presence of chiral properties in compounds that don't present classical stereogenic centers. Atropisomeric compounds, intermediates and catalysts have well-know importance in organic synthesis, but the influence of the axial chirality in substances able to modulate biological systems is still not very exploited in drug design and development. In this context, the present account describes the importance of this structural property in the medicinal chemistry of different classes of bioactive compounds or therapeutic agents, emphasizing how atropisomerism could affect the molecular recognition of a ligand or a prototype by the target bioreceptor.

Relevância:

10.00% 10.00%

Publicador:

Resumo:

We treat some subtleties concerning the First Law of Thermodynamics and discuss the inherent difficulties, namely the interpretation of the heat and the work differentials. By proposing a new differential equation for the First Law, which is written using both system and neighborhood variables, we overcome the mentioned difficulties and establish a criterion for the definition of heat and work.