Performance evaluation of hydrocyclone filter for microirrigation

In this study a hydrocyclone filter of 20 cm was selected and its performance was evaluated by studying the variation of discharge, pressure drop, influent concentration, and filtration efficiency with elapsed time of operation. The filter was tested with clean water to determine clean pressure drop and later it was tested with four concentrations of solid suspension, viz. 300; 600; 900 and 1,200 mg L-1. In the concentration of 300 mg L-1, the variation of pressure drop was low. But for the other concentrations of solid suspension, the variation was significant. The maximum pressure drops obtained were 41.19, 45.11, 50.01 and 52.95 kPa at 350, 390, 280 and 190 minutes of elapsed time, respectively. The maximum efficiency of solid suspension was 30.3, 32.96, 43.89 and 52.5% where as the minimum efficiencies were 9.91, 9.93, 9.62 and 9.9%, respectively. The hydrociclone tested presented inefficiency to filter small particles as clay. The initial removal efficiency of higher concentration was bigger than for lower concentration but, the final efficiency are almost the same irrespective of the concentration of solid suspension. The present tested hydrocyclone could be used as a pre-filter microirrigation to prevent emitter clogging.

Cheminformatic studies of molecular properties and their influence on bioactivity in the context of drug discovery

Molecular shape has long been known to be an important property for the process of molecular recognition. Previous studies postulated the existence of a drug-like shape space that could be used to artificially bias the composition of screening libraries, with the aim to increase the chance of success in Hit Identification. In this work, it was analysed to which extend this assumption holds true. Normalized Principal Moments of Inertia Ratios (NPRs) have been used to describe the molecular shape of small molecules. It was investigated, whether active molecules of diverse targets are located in preferred subspaces of the NPR shape space. Results illustrated a significantly stronger clustering than could be expected by chance, with parts of the space unlikely to be occupied by active compounds. Furthermore, a strong enrichment of elongated, rather flat shapes could be observed, while globular compounds were highly underrepresented. This was confirmed for a wide range of small molecule datasets from different origins. Active compounds exhibited a high overlap in their shape distributions across different targets, making a purely shape­ based discrimination very difficult. An additional perspective was provided by comparing the shapes of protein binding pockets with those of their respective ligands. Although more globular than their ligands, it was observed that binding sites shapes exhibited a similarly skewed distribution in shape space: spherical shapes were highly underrepresented. This was different for unoccupied binding pockets of smaller size. These were on the contrary identified to possess a more globular shape. The relation between shape complementarity and exhibited bioactivity was analysed; a moderate correlation between bioactivity and parameters including pocket coverage, distance in shape space, and others could be identified, which reflects the importance of shape complementarity. However, this also suggests that other aspects are of relevance for molecular recognition. A subsequent analysis assessed if and how shape and volume information retrieved from pocket or respective reference ligands could be used as a pre-filter in a virtual screening approach. ln Lead Optimization compounds need to get optimized with respect to a variety of pararneters. Here, the availability of past success stories is very valuable, as they can guide medicinal chemists during their analogue synthesis plans. However, although of tremendous interest for the public domain, so far only large corporations had the ability to mine historical knowledge in their proprietary databases. With the aim to provide such information, the SwissBioisostere database was developed and released during this thesis. This database contains information on 21,293,355 performed substructural exchanges, corresponding to 5,586,462 unique replacements that have been measured in 35,039 assays against 1,948 molecular targets representing 30 target classes, and on their impact on bioactivity . A user-friendly interface was developed that provides facile access to these data and is accessible at http//www.swissbioisostere.ch. The ChEMBL database was used as primary data source of bioactivity information. Matched molecular pairs have been identified in the extracted and cleaned data. Success-based scores were developed and integrated into the database to allow re-ranking of proposed replacements by their past outcomes. It was analysed to which degree these scores correlate with chemical similarity of the underlying fragments. An unexpectedly weak relationship was detected and further investigated. Use cases of this database were envisioned, and functionalities implemented accordingly: replacement outcomes are aggregatable at the assay level, and it was shawn that an aggregation at the target or target class level could also be performed, but should be accompanied by a careful case-by-case assessment. It was furthermore observed that replacement success depends on the activity of the starting compound A within a matched molecular pair A-B. With increasing potency the probability to lose bioactivity through any substructural exchange was significantly higher than in low affine binders. A potential existence of a publication bias could be refuted. Furthermore, often performed medicinal chemistry strategies for structure-activity-relationship exploration were analysed using the acquired data. Finally, data originating from pharmaceutical companies were compared with those reported in the literature. It could be seen that industrial medicinal chemistry can access replacement information not available in the public domain. In contrast, a large amount of often-performed replacements within companies could also be identified in literature data. Preferences for particular replacements differed between these two sources. The value of combining different endpoints in an evaluation of molecular replacements was investigated. The performed studies highlighted furthermore that there seem to exist no universal substructural replacement that always retains bioactivity irrespective of the biological environment. A generalization of bioisosteric replacements seems therefore not possible. - La forme tridimensionnelle des molécules a depuis longtemps été reconnue comme une propriété importante pour le processus de reconnaissance moléculaire. Des études antérieures ont postulé que les médicaments occupent préférentiellement un sous-ensemble de l'espace des formes des molécules. Ce sous-ensemble pourrait être utilisé pour biaiser la composition de chimiothèques à cribler, dans le but d'augmenter les chances d'identifier des Hits. L'analyse et la validation de cette assertion fait l'objet de cette première partie. Les Ratios de Moments Principaux d'Inertie Normalisés (RPN) ont été utilisés pour décrire la forme tridimensionnelle de petites molécules de type médicament. Il a été étudié si les molécules actives sur des cibles différentes se co-localisaient dans des sous-espaces privilégiés de l'espace des formes. Les résultats montrent des regroupements de molécules incompatibles avec une répartition aléatoire, avec certaines parties de l'espace peu susceptibles d'être occupées par des composés actifs. Par ailleurs, un fort enrichissement en formes allongées et plutôt plates a pu être observé, tandis que les composés globulaires étaient fortement sous-représentés. Cela a été confirmé pour un large ensemble de compilations de molécules d'origines différentes. Les distributions de forme des molécules actives sur des cibles différentes se recoupent largement, rendant une discrimination fondée uniquement sur la forme très difficile. Une perspective supplémentaire a été ajoutée par la comparaison des formes des ligands avec celles de leurs sites de liaison (poches) dans leurs protéines respectives. Bien que plus globulaires que leurs ligands, il a été observé que les formes des poches présentent une distribution dans l'espace des formes avec le même type d'asymétrie que celle observée pour les ligands: les formes sphériques sont fortement sous­ représentées. Un résultat différent a été obtenu pour les poches de plus petite taille et cristallisées sans ligand: elles possédaient une forme plus globulaire. La relation entre complémentarité de forme et bioactivité a été également analysée; une corrélation modérée entre bioactivité et des paramètres tels que remplissage de poche, distance dans l'espace des formes, ainsi que d'autres, a pu être identifiée. Ceci reflète l'importance de la complémentarité des formes, mais aussi l'implication d'autres facteurs. Une analyse ultérieure a évalué si et comment la forme et le volume d'une poche ou de ses ligands de référence pouvaient être utilisés comme un pré-filtre dans une approche de criblage virtuel. Durant l'optimisation d'un Lead, de nombreux paramètres doivent être optimisés simultanément. Dans ce contexte, la disponibilité d'exemples d'optimisations réussies est précieuse, car ils peuvent orienter les chimistes médicinaux dans leurs plans de synthèse par analogie. Cependant, bien que d'un extrême intérêt pour les chercheurs dans le domaine public, seules les grandes sociétés pharmaceutiques avaient jusqu'à présent la capacité d'exploiter de telles connaissances au sein de leurs bases de données internes. Dans le but de remédier à cette limitation, la base de données SwissBioisostere a été élaborée et publiée dans le domaine public au cours de cette thèse. Cette base de données contient des informations sur 21 293 355 échanges sous-structuraux observés, correspondant à 5 586 462 remplacements uniques mesurés dans 35 039 tests contre 1948 cibles représentant 30 familles, ainsi que sur leur impact sur la bioactivité. Une interface a été développée pour permettre un accès facile à ces données, accessible à http:/ /www.swissbioisostere.ch. La base de données ChEMBL a été utilisée comme source de données de bioactivité. Une version modifiée de l'algorithme de Hussain et Rea a été implémentée pour identifier les Matched Molecular Pairs (MMP) dans les données préparées au préalable. Des scores de succès ont été développés et intégrés dans la base de données pour permettre un reclassement des remplacements proposés selon leurs résultats précédemment observés. La corrélation entre ces scores et la similarité chimique des fragments correspondants a été étudiée. Une corrélation plus faible qu'attendue a été détectée et analysée. Différents cas d'utilisation de cette base de données ont été envisagés, et les fonctionnalités correspondantes implémentées: l'agrégation des résultats de remplacement est effectuée au niveau de chaque test, et il a été montré qu'elle pourrait également être effectuée au niveau de la cible ou de la classe de cible, sous réserve d'une analyse au cas par cas. Il a en outre été constaté que le succès d'un remplacement dépend de l'activité du composé A au sein d'une paire A-B. Il a été montré que la probabilité de perdre la bioactivité à la suite d'un remplacement moléculaire quelconque est plus importante au sein des molécules les plus actives que chez les molécules de plus faible activité. L'existence potentielle d'un biais lié au processus de publication par articles a pu être réfutée. En outre, les stratégies fréquentes de chimie médicinale pour l'exploration des relations structure-activité ont été analysées à l'aide des données acquises. Enfin, les données provenant des compagnies pharmaceutiques ont été comparées à celles reportées dans la littérature. Il a pu être constaté que les chimistes médicinaux dans l'industrie peuvent accéder à des remplacements qui ne sont pas disponibles dans le domaine public. Par contre, un grand nombre de remplacements fréquemment observés dans les données de l'industrie ont également pu être identifiés dans les données de la littérature. Les préférences pour certains remplacements particuliers diffèrent entre ces deux sources. L'intérêt d'évaluer les remplacements moléculaires simultanément selon plusieurs paramètres (bioactivité et stabilité métabolique par ex.) a aussi été étudié. Les études réalisées ont souligné qu'il semble n'exister aucun remplacement sous-structural universel qui conserve toujours la bioactivité quel que soit le contexte biologique. Une généralisation des remplacements bioisostériques ne semble donc pas possible.

High-Resolution Mass Spectrometry applied to the identification of new metabolites and transformation products of quinolones in chicken muscle tissues

The aim of this work was the identification of new metabolites and transformation products (TPs) in chicken muscle from Enrofloxacin (ENR), Ciprofloxacin (CIP), Difloxacin (DIF) and Sarafloxacin (SAR), which are antibiotics that belong to the fluoroquinolones family. The stability of ENR, CIP, DIF and SAR standard solutions versus pH degradation process (from pH 1.5 to 8.0, simulating the pH since the drug is administered until its excretion) and freeze-thawing (F/T) cycles was tested. In addition, chicken muscle samples from medicated animals with ENR were analyzed in order to identify new metabolites and TPs. The identification of the different metabolites and TPs was accomplished by comparison of mass spectral data from samples and blanks, using liquid chromatography coupled to quadrupole time-of-flight (LC-QqToF) and Multiple Mass Defect Filter (MMDF) technique as a pre-filter to remove most of the background noise and endogenous components. Confirmation and structure elucidation was performed by liquid chromatography coupled to linear ion trap quadrupole Orbitrap (LC-LTQ-Orbitrap), due to its mass accuracy and MS/MS capacity for elemental composition determination. As a result, 21 TPs from ENR, 6 TPs from CIP, 14 TPs from DIF and 12 TPs from SAR were identified due to the pH shock and F/T cycles. On the other hand, 14 metabolites were identified from the medicated chicken muscle samples. Formation of CIP and SAR, from ENR and DIF, respectively, and the formation of desethylene-quinolone were the most remarkable identified compounds.

High-Resolution Mass Spectrometry applied to the identification of transformation products of quinolones from stability studies and new metabolites of enrofloxacin in chicken muscle tissues

The aim of this work was the identification of new metabolites and transformation products (TPs) in chicken muscle from Enrofloxacin (ENR), Ciprofloxacin (CIP), Difloxacin (DIF) and Sarafloxacin (SAR), which are antibiotics that belong to the fluoroquinolones family. The stability of ENR, CIP, DIF and SAR standard solutions versus pH degradation process (from pH 1.5 to 8.0, simulating the pH since the drug is administered until its excretion) and freeze-thawing (F/T) cycles was tested. In addition, chicken muscle samples from medicated animals with ENR were analyzed in order to identify new metabolites and TPs. The identification of the different metabolites and TPs was accomplished by comparison of mass spectral data from samples and blanks, using liquid chromatography coupled to quadrupole time-of-flight (LC-QqToF) and Multiple Mass Defect Filter (MMDF) technique as a pre-filter to remove most of the background noise and endogenous components. Confirmation and structure elucidation was performed by liquid chromatography coupled to linear ion trap quadrupole Orbitrap (LC-LTQ-Orbitrap), due to its mass accuracy and MS/MS capacity for elemental composition determination. As a result, 21 TPs from ENR, 6 TPs from CIP, 14 TPs from DIF and 12 TPs from SAR were identified due to the pH shock and F/T cycles. On the other hand, 14 metabolites were identified from the medicated chicken muscle samples. Formation of CIP and SAR, from ENR and DIF, respectively, and the formation of desethylene-quinolone were the most remarkable identified compounds.

High-resolution mass spectrometry applied to theidentification of transformation products of quinolones from stability studies and new metabolites of enrofloxacin in chicken muscle tissues

The aim of this work was the identification of new metabolites and transformation products (TPs) in chicken muscle from Enrofloxacin (ENR), Ciprofloxacin (CIP), Difloxacin (DIF) and Sarafloxacin (SAR), which are antibiotics that belong to the fluoroquinolones family. The stability of ENR, CIP, DIF and SAR standard solutions versus pH degradation process (from pH 1.5 to 8.0, simulating the pH since the drug is administered until its excretion) and freeze-thawing (F/T) cycles was tested. In addition, chicken muscle samples from medicated animals with ENR were analyzed in order to identify new metabolites and TPs. The identification of the different metabolites and TPs was accomplished by comparison of mass spectral data from samples and blanks, using liquid chromatography coupled to quadrupole time-of-flight (LC-QqToF) and Multiple Mass Defect Filter (MMDF) technique as a pre-filter to remove most of the background noise and endogenous components. Confirmation and structure elucidation was performed by liquid chromatography coupled to linear ion trap quadrupole Orbitrap (LC-LTQ-Orbitrap), due to its mass accuracy and MS/MS capacity for elemental composition determination. As a result, 21 TPs from ENR, 6 TPs from CIP, 14 TPs from DIF and 12 TPs from SAR were identified due to the pH shock and F/T cycles. On the other hand, 14 metabolites were identified from the medicated chicken muscle samples. Formation of CIP and SAR, from ENR and DIF, respectively, and the formation of desethylene-quinolone were the most remarkable identified compounds.

Water treatment by multistage filtration system with natural coagulant from Moringa oleifera seeds

This study presents an evaluation of a pilot multistage filtration system (MSF) with different dosages, 131 mg L-1 and 106 mg L-1, of the natural coagulant extracted from Moringa oleifera seeds in pre-filtration and slow filtration stages, respectively. The system was comprised by a dynamic pre-filter unit, two upflow filters in parallel and four slow filters in parallel, and in one of the four filters had the filter media altered. The performance of the system was evaluated by monitoring some water quality parameters such as: turbidity, apparent color and slow filter load loss. The stages that have received the coagulant solution had better treatment efficiency compared with the steps without it. However, the direct application of the coagulant solution in the slow filter caused rapid clogging of the non-woven blanket and shorter career length.

Investigations into phosphorus removal by constructed wetlands : root bed media modifications /

A study has been conducted focusing on how the phosphorus renrx)val efficiency of a constructed wetland (CW) can be optimized through the selective enrichment of the substratum. Activated alumina and powdered iron were examined as possible enrichment compounds. Using packed glass column trials it was found that alumina was not suitable for the renx)val of ortho-phosphate from solution, while mixtures of powdered iron and quartz sand proved to be very efficient. The evaluation of iron/sand mixtures in CWs planted with cattails was performed in three stages; first using an indoor lab scale wetland, then an outdoor lab scale wetland, and finally in a small scale pilot project. For the lab scale tests, three basic configurations were evaluated: using the iron/sand as a pre-filter, in the root bed. and as a post filter. Primary lagoon effluent was applied to the test cells to simulate actual CW conditions, and the total phosphorus and iron concentrations of the influent and effluent were nfK)nitored. The pilot scale trials were limited to using only a post filter design, due to in-progress research at the pilot site. The lab scale tests achieved average renrK>val efficiencies greater than 91% for all indoor configurations, and greater than 97% for all outdoor configurations. The pilot scale tests had an average renK)val efficiency of 60%. This relatively low efficiency in the pilot scale can be attributed to the post filters being only one tenth the size of the lab scale test in terms of hydraulic loading (6 cm/day vs. 60 cm/day).

Eficiência de um hidrociclone de geometria rietema para pré-filtragem de água para irrigação

O hidrociclone é um equipamento amplamente utilizado pela indústria em processos envolvendo separação sólido-líquido, porém ainda pouco utilizado na agricultura irrigada no Brasil. Neste trabalho, avaliou-se o desempenho deste equipamento como pré-filtrante de partículas sólidas, oriundas dos processos erosivos e do assoreamento dos recursos hídricos. Os testes foram realizados com um hidrociclone de geometria Rietema, possuindo diâmetro de 19,2 cm na parte cilíndrica, operando com vazões variando entre 10 m³ h-1 e 27 m³ h-1. Os materiais particulados usados em suspensão foram: solo franco-argiloso e areia de rio. Os resultados mostraram que a perda de carga máxima média foi de 52 kPa e 47 kPa para as suspensões aquosas de areia e solo, respectivamente. Seu melhor desempenho ocorreu operando com suspensão aquosa de areia, apresentando eficiência total de 92,3% para a vazão de 26,9 m³ h-1. Concluiu-se que o equipamento avaliado é mais eficiente para remoção de partículas de areia, podendo ser utilizado como pré-filtro em sistemas de irrigação.

Utilização de colunas verticais de filtração em manta e areia como pré-tratamento de filtro lento

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Desempenho de um hidrociclione de geometria rietema como pré filtro para sistemas de irrigação

Pós-graduação em Agronomia (Produção Vegetal) - FCAV

Are European equity markets efficient? New evidence from fractal analysis

We report an empirical analysis of long-range dependence in the returns of eight stock market indices, using the Rescaled Range Analysis (RRA) to estimate the Hurst exponent. Monte Carlo and bootstrap simulations are used to construct critical values for the null hypothesis of no long-range dependence. The issue of disentangling short-range and long-range dependence is examined. Pre-filtering by fitting a (short-range) autoregressive model eliminates part of the long-range dependence when the latter is present, while failure to pre-filter leaves open the possibility of conflating short-range and long-range dependence. There is a strong evidence of long-range dependence for the small central European Czech stock market index PX-glob, and a weaker evidence for two smaller western European stock market indices, MSE (Spain) and SWX (Switzerland). There is little or no evidence of long-range dependence for the other five indices, including those with the largest capitalizations among those considered, DJIA (US) and FTSE350 (UK). These results are generally consistent with prior expectations concerning the relative efficiency of the stock markets examined. © 2011 Elsevier Inc.

Incremental filter and wrapper approaches for feature discretization

Discrete data representations are necessary, or at least convenient, in many machine learning problems. While feature selection (FS) techniques aim at finding relevant subsets of features, the goal of feature discretization (FD) is to find concise (quantized) data representations, adequate for the learning task at hand. In this paper, we propose two incremental methods for FD. The first method belongs to the filter family, in which the quality of the discretization is assessed by a (supervised or unsupervised) relevance criterion. The second method is a wrapper, where discretized features are assessed using a classifier. Both methods can be coupled with any static (unsupervised or supervised) discretization procedure and can be used to perform FS as pre-processing or post-processing stages. The proposed methods attain efficient representations suitable for binary and multi-class problems with different types of data, being competitive with existing methods. Moreover, using well-known FS methods with the features discretized by our techniques leads to better accuracy than with the features discretized by other methods or with the original features. (C) 2013 Elsevier B.V. All rights reserved.

Selecting Wavelet Filter for Compression of Spectra from Multispectral Images

The problem of selecting anappropriate wavelet filter is always present in signal compression based on thewavelet transform. In this report, we propose a method to select a wavelet filter from a predefined set of filters for the compression of spectra from a multispectral image. The wavelet filter selection is based on the Learning Vector Quantization (LVQ). In the training phase for the test images, the best wavelet filter for each spectrum has been found by a careful compression-decompression evaluation. Certain spectral features are used in characterizing the pixel spectra. The LVQ is used to form the best wavelet filter class for different types of spectra from multispectral images. When a new image is to be compressed, a set of spectra from that image is selected, the spectra are classified by the trained LVQand the filter associated to the largest class is selected for the compression of every spectrum from the multispectral image. The results show, that almost inevery case our method finds the most suitable wavelet filter from the pre-defined set for the compression.

Adaptive least mean square CDMA detection with Gram–Schmidt pre-processing

The Gram-Schmidt (GS) orthogonalisation procedure has been used to improve the convergence speed of least mean square (LMS) adaptive code-division multiple-access (CDMA) detectors. However, this algorithm updates two sets of parameters, namely the GS transform coefficients and the tap weights, simultaneously. Because of the additional adaptation noise introduced by the former, it is impossible to achieve the same performance as the ideal orthogonalised LMS filter, unlike the result implied in an earlier paper. The authors provide a lower bound on the minimum achievable mean squared error (MSE) as a function of the forgetting factor λ used in finding the GS transform coefficients, and propose a variable-λ algorithm to balance the conflicting requirements of good tracking and low misadjustment.

Real-Time Visual SLAM Using Pre - Existing Floor Lines as Landmarks and a Single Camera

SANTANA, André M.; SANTIAGO, Gutemberg S.; MEDEIROS, Adelardo A. D. Real-Time Visual SLAM Using Pre-Existing Floor Lines as Landmarks and a Single Camera. In: CONGRESSO BRASILEIRO DE AUTOMÁTICA, 2008, Juiz de Fora, MG. Anais... Juiz de Fora: CBA, 2008.