(Z)-Ethyl 2-hydroxyimino-2-(4-nitrobenzyl)ethanoate

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

A structure-activity relationship study of quinone compounds with trypanocidal activity

A set of 25 quinone compounds with anti-trypanocidal activity was studied by using the density functional theory (DFT) method in order to calculate atomic and molecular properties to be correlated with the biological activity. The chemometric methods principal component analysis (PCA), hierarchical cluster analysis (HCA), stepwise discriminant analysis (SDA), Kth nearest neighbor (KNN) and soft independent modeling of class analogy (SIMCA) were used to obtain possible relationships between the calculated descriptors and the biological activity studied and to predict the anti-trypanocidal activity of new quinone compounds from a prediction set. Four descriptors were responsible for the separation between the active and inactive compounds: T-5 (torsion angle), QTS1 (sum of absolute values of the atomic charges), VOLS2 (volume of the substituent at region B) and HOMO-1 (energy of the molecular orbital below HOMO). These descriptors give information on the kind of interaction that occurs between the compounds and the biological receptor. The prediction study was done with a set of three new compounds by using the PCA, HCA, SDA, KNN and SIMCA methods and two of them were predicted as active against the Trypanosoma cruzi. (c) 2005 Elsevier SAS. All rights reserved.

N-Methyl-2-(1-methyl-3-phenyl­prop-2-en-1-yl­idene)hydrazinecarbo­thio­amide

In the title compound, C12H15N3S, the mol­ecule deviates slightly from planarity, with a maximum deviation from the mean plane of the non-H atoms of 0.2756 (6) Å for the S atom and a torsion angle for the N-N-C-N fragment of -7.04 (16)°. In the crystal, mol­ecules are linked by N-H...S hydrogen-bond inter­actions, forming centrosymmetric dimers. Additionally, one weak intra­molecular N-H...N hydrogen-bond inter­action is observed. The crystal packing shows a herringbone arrangement viewed along the c axis.

Gastric Torsion from an Intestinal Hernia Through a Rent in the Gastrosplenic Ligament in a Horse

The present report describes an 8-year-old gelding presenting with signs of severe abdominal pain. After performing a thorough physical examination, including rectal palpation and additional diagnostic tests, an exploratory laparotomy was recommended. The jejunum was found herniated through the gastrosplenic ligament, and the stomach was severely distended with gas. Given a poor prognosis, the horse was euthanized on the table. At necropsy, the stomach appeared dilated, with an 180 horizontal gastric torsion, from left (lateral) to right (medial), dividing the organ into dorsal and ventral compartments. We believe that the chronic traction exerted by an incarcerated and distended loop of jejunum, in the dorsal aspect of the gastrosplenic ligament, associated with trauma during episodes of intense rolling, enlarged the rent until it ruptured. Because of this rupture, the lateral dorsal aspect of the stomach became unattached, predisposing it to the torsion. (C) 2012 Elsevier B.V. All rights reserved.

Self-assembling of phenothiazine compounds investigated by small-angle X-ray scattering and electron paramagnetic resonance spectroscopy

Small-angle X-ray scattering (SAXS) and electron paramagnetic resonance (EPR) have been carried out to investigate the structure of the self-aggregates of two phenothiazine drugs, chlorpromazine (CPZ) and trifluoperazine (TFP), in aqueous solution. In the SAXS studies, drug solutions of 20 and 60 mM, at pH 4.0 and 7.0, were investigated and the best data fittings were achieved assuming several different particle form factors with a homogeneous electron density distribution in respect to the water environment. Because of the limitation of scattering intensity in the q range above 0.15 angstrom(-1), precise determination of the aggregate shape was not possible and all of the tested models for ellipsoids, cylinders, or parallelepipeds fitted the experimental data equally well. The SAXS data allows inferring, however, that CPZ molecules might self-assemble in a basis set of an orthorhombic cell, remaining as nanocrystallites in solution. Such nanocrystals are composed of a small number of unit cells (up to 10, in c-direction), with CPZ aggregation numbers of 60-80. EPR spectra of 5- and 16-doxyl stearic acids bound to the aggregates were analyzed through simulation, and the dynamic and magnetic parameters were obtained. The phenothiazine concentration in EPR experiments was in the range of 5-60 mM. Critical aggregation concentration of TFP is lower than that for CPZ, consistent with a higher hydrophobicity of TFP. At acidic pH 4.0 a significant residual motion of the nitroxide relative to the aggregate is observed, and the EPR spectra and corresponding parameters are similar to those reported for aqueous surfactant micelles. However, at pH 6.5 a significant motional restriction is observed, and the nitroxide rotational correlation times correlate very well with those estimated for the whole aggregated particle from SAXS data. This implies that the aggregate is densely packed at this pH and that the nitroxide is tightly bound to it producing a strongly immobilized EPR spectrum. Besides that, at pH 6.5 the differences in motional restriction observed between 5- and 16-DSA are small, which is different from that observed for aqueous surfactant micelles.

Nanohardness and contact angle of Si wafers implanted with N and C and Al alloy with N by plasma ion implantation

Surfaces of silicon wafers implanted with N and C, respectively, and aluminum 5052 implanted with N alone by plasma immersion ion implantation WHO were probed by a nanoindentor and analyzed by the contact-angle method to provide information on surface nanohardness and wettability. Silicon nitride and silicon carbide are important ceramic materials for microelectronics, especially for high-temperature applications. These compounds can be synthesized by high-dose ion implantation. The nanohardness of a silicon sample implanted with 12-keV nitrogen PIII (with 3 X 10(17) cm(-2) dose) increased by 10% compared to the unimplanted sample, in layers deeper than the regions where the formation of the Si,N, compound occurred. A factor of 2.5 increase in hardness was obtained for C-implanted Si wafer at 35 keV (with 6 X 10(17) cm(-2) dose), again deeper than the SiC-rich layer, Both compounds are in the amorphous state and their hardness is much lower than that of the crystalline compounds, which require an annealing process after ion implantation. In the same targets, the contact angle increased by 65% and 35% for N- and C-implanted samples, respectively. Compared to the Si target, the nitrogen PIII-irradiated Al 5052 (wish 15 keV) showed negligible change in its hydrophobic character after ion implantation. Its near-surface nanohardness measurement showed a slight increase for doses of 1 X 10(17) cm(-2). We have been searching for an AlN layer of the order of 1000 A thick, using such a low-energy PIII process, but oxide formation during processing has precluded its synthesis. (C) 2002 Elsevier B.V. B.V. All rights reserved.

Study of the dimensions of double-torsion test specimens

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Microstructural Evolution of Ti-6Al-7Nb Alloy During High Pressure Torsion

Ti-6Al-7Nb alloys are being evaluated for biomedical applications, in substitution of the more conventional Ti-6Al-7V. Both types of alloys present a microstructure containing the alpha and the beta phases, which result in good compromise for mechanical applications. In the present work Ti-6Al-7Nb alloys were processed by High Pressure Torsion (HPT), varying the number of revolutions and thus the total imposed strain. X-Ray Diffraction (XRD) results revealed the formation of different crystallographic textures in samples subjected to HPT. Microhardness distribution, across the diameters of the disks, is rather homogeneous for all samples, with higher values for those subjected to 03 and 05 turns. Transmission electron microscopy (TEM) micrographs have showed that an ultra-fine grained microstructure was obtained in all the samples.

In vitro evaluation of conventional and locking miniplate/screw systems for the treatment of mandibular angle fractures

This in vitro study evaluated the influence of the type of miniplate and the number of screws installed in the proximal and distal segments on the stability and resistance of Champy's osteosynthesis in mandibular angle fractures. Sixty polyurethane hemimandibles with bone-like consistency were randomly assigned to four groups (n = 15) and sectioned in the mandibular angle region to simulate fracture. The bone segments were fixed by different osteosynthesis methods using 2.0 mm miniplates and 2.0 mm x 6 mm rnonocortical screws. In groups 1 and 2, two conventional (G1) or locking (G2) screws were installed in each bone segment using a conventional (G1) or a locking (02) straight miniplate; in groups 3 and 4, three conventional (03) or locking (04) screws were installed in the proximal segment and four conventional (G3) or locking (04) screws were installed in the distal segment using a conventional (G3) or a locking (G4) seven-hole straight miniplate. The hemimandibles were loaded in compressive strength until a 4 mm displacement occurred between the segments, vertically or horizontally. Locking plate/screw systems provided significantly greater resistance to displacement than conventional ones (p < .01). Locking miniplates offered more resistance than conventional miniplates. Long locking miniplates provided greater stability than short ones.

Prevalência de oclusopatias e comparação entre a Classificação de Angle e o Índice de Estética Dentária em escolares do interior do estado de São Paulo - Brasil

INTRODUÇÃO: as oclusopatias estão entre os principais problemas de saúde bucal em todo o mundo, juntamente com a cárie dentária e a doença periodontal, e vários índices têm sido utilizados para registrá-las. OBJETIVOS: verificar a prevalência de oclusopatias utilizando a Classificação de Angle e o Índice de Estética Dentária (DAI), sua severidade e a necessidade de tratamento ortodôntico registradas pelo DAI, e comparar os resultados de ambos os índices, visando correlacionar o padrão dos dados coletados e a viabilidade de utilizá-los de forma conjunta. MÉTODOS: a amostra consistiu de 734 escolares com idade de 12 anos, de ambos os sexos, da rede pública do município de Lins/SP. Foram realizados exames nos pátios das escolas com utilização de sondas IPC a olho nu. RESULTADOS: pela Classificação de Angle, encontrou-se 33,24% das crianças com oclusão normal e 66,76% com má oclusão. Pelo DAI, observou-se que 65,26% das crianças apresentavam-se sem anormalidades ou com más oclusões leves. A má oclusão definida esteve presente em 12,81%, a má oclusão severa foi observada em 10,90% e a muito severa ou incapacitante em 11,03%. A maioria das crianças (70,57%) apresentou relação molar normal, e o overjet maxilar anterior foi a alteração mais frequentemente observada. No cruzamento dos índices houve semelhanças e divergências. CONCLUSÃO: o DAI não foi sensível a alguns problemas de oclusão detectados pela Classificação de Angle, e a recíproca foi verdadeira, demonstrando que ambos os índices possuem pontos distintos na detecção das oclusopatias, podendo ser utilizados de forma reciprocamente complementar.

Tratamento da má oclusão de Classe II, divisão 1 de Angle, com protrusão maxilar utilizando-se recursos ortopédicos

OBJETIVO: o presente trabalho tem o propósito de apresentar uma revisão da literatura acerca do tratamento da má oclusão de Classe II, divisão 1 de Angle, tendo a protrusão maxilar como o principal componente dessa má oclusão, durante a fase de crescimento e desenvolvimento craniofacial. Serão apresentadas as características de cada um desses aparelhos, os seus componentes, a forma adequada de utilização, os seus mecanismos de ação e, principalmente, os seus efeitos em todo o complexo dentofacial. CONCLUSÃO: nos casos em que se verifica apenas a protrusão maxilar, sem envolvimento mandibular, e se faz necessário o controle vertical, pode ser indicado o AEB, conjugado ao aparelho removível derivado do aparelho preconizado por Thurow. Já nas situações de combinação da protrusão maxilar com a retrusão mandibular, uma opção de tratamento é o ativador combinado à ancoragem extrabucal.

Avaliação cefalométrica do tratamento da Classe II, divisão 1, de Angle com os aparelhos extrabucal de Kloehn e fixo edgewise: influência do padrão facial

O presente estudo foi realizado com o propósito de avaliar respostas cefalométricas ao tratamento com aparelho extrabucal de Kloehn associado ao aparelho fixo edgewise convencional. Telerradiografias iniciais (T1) e finais (T2) de dois grupos de 30 pacientes tratados com estes aparelhos foram selecionadas e definidas pelo índice cefalométrico de Jarabak para determinação do padrão esquelético craniofacial. Os grupos foram denominados favorável (hipodivergente) e desfavorável (hiperdivergente). A idade média, no início do tratamento, foi de 11,03 anos e final de 14,72 com o tempo médio de tratamento de 3,6 anos para o grupo favorável. No grupo desfavorável a idade inicial foi de 11,51 anos e final de 15,17 anos com tempo médio de tratamento de 3,4 anos. Foi utilizado um sistema de análise de resposta de tratamento em coordenadas X e Y representativos dos movimentos dentários e das bases ósseas decompondo-os em seus vetores horizontais e verticais. Os resultados e respostas do tratamento foram analisados e comparados entre os grupos favorável e desfavorável utilizando o teste t-Student. Os resultados mostraram não haver diferenças estatisticamente significantes na resposta cefalométrica no tratamento com o aparelho extrabucal de Kloehn associados ao aparelho fixo edgewise quanto aos padrões faciais favorável e desfavorável. O tratamento promoveu uma restrição do deslocamento anterior maxilar e um menor deslocamento anterior mandibular. Quanto à movimentação dentária maxilar, houve uma restrição do movimento mesial e extrusivo dos molares superiores no grupo favorável, enquanto que o movimento dos dentes inferiores foi mínimo no sentido anterior e vertical.

Mandibular Angle Fracture Treated With New Three-Dimensional Grid Miniplate

Fractures of the mandibular angle deserve particular attention because they represent the highest percentage of mandibular fractures and have the highest postsurgical complication rate, making them the most challenging and unpredictable mandibular fractures to treat. Despite the evolution in the treatment of maxillofacial trauma and fixation methods, no single treatment modality has been revealed to be ideal for mandibular angle fractures. Several methods of internal fixation have been studied with great variation in complications rates, especially postoperative infections. Recently, new studies have shown reduction of postsurgical complications rates using three-dimensional plates to treat mandibular angle fractures. Nevertheless, only few surgeons have used this type of plate for the treatment of mandibular angle fractures. The aim of this clinical report was to describe a case of a patient with a mandibular angle fracture treated by an intraoral approach and a three-dimensional rectangular grid miniplate with 4 holes, which was stabilized with monocortical screws. The authors show a follow-up of 8 months, without infection and with occlusal stability.

Influence of the Angle of Irradiation of the Er,Cr:YSGG Laser on the Morphology, Attachment of Blood Components, Roughness, and Root Wear: In Vitro Study

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)