Solvatochromic and lonochromic Effects of Iron(II)bis-(1,10-phenanthroline)dicyano: a Theoretical Study

Solvatochromic and ionochromic effects of the iron(II)bis(1,10-phenanthroline)dicyano (Fe(phen)(2)(CN)(2)) complex were investigated by means of combined DFT/TDDFT calculations using the PBE and B3LYP functionals. Extended solvation models of Fe(phen)(2)(CN)(2) in acetonitrile and aqueous solution, as well as including interaction with Mg(2+), were constructed. The calculated vertical excitation energies reproduce well the observed solvatochromism in acetonitrile and aqueous solutions, the ionochromism in acetonitrile in the presence of Mg(2+), and the absence of ionochromic effect in aqueous solution. The vertical excitation energies and the nature of the transitions were reliably predicted after inclusion of geometry relaxation upon aqueous micro- and global solvation and solvent polarization effect in the TDDFT calculations. The two intense UV-vis absorption bands occurring for all systems studied are interpreted as transitions from a hybrid Fe(II)(d)/cyano N(p) orbital to a phenanthroline pi* orbital rather than a pure metal-to-ligand-charge transfer (MLCT). The solvatochromic and ionochromic blue band shifts of Fe(phen)(2)(CN)(2) were explained with preferential stabilization of the highest occupied Fe(II)(d)/cyano N(p) orbitals as a result of specific interactions with water solvent molecules or Mg(2+) ions in solution. Such interactions occur through the CN(-) groups in the complex, and they have a decisive role for the observed blue shifts of UV-vis absorption bands.

Distalização dos molares superiores com aparelho Pendex unilateral: estudo piloto com radiografia panorâmica

OBJETIVO: o presente ensaio científico põe em pauta o efeito imediato da distalização unilateral de molares superiores, lançando mão do distalizador intrabucal Pendex de ação unilateral. METODOLOGIA: o estudo prospectivo foi conduzido em três pacientes na dentadura permanente madura, no estágio de adolescência, que apresentavam uma má oclusão Classe II, subdivisão. O aparelho Pendex foi instalado com a mola distalizadora de TMA, construída apenas no lado direito. A metodologia baseou-se nas radiografias panorâmicas inicial e pós-distalização para quantificar a inclinação axial mesiodistal dos molares superiores. RESULTADOS E CONCLUSÕES: os resultados mostraram que os molares do lado esquerdo mantiveram sua inclinação mesiodistal inicial, sugerindo ancoragem, enquanto os molares do lado direito foram inclinados para distal, à semelhança do que ocorre com a distalização simétrica dos molares superiores, obtida com o aparelho Pendex convencional. Os primeiros molares foram inclinados 11,5º, enquanto os segundos molares foram inclinados 21º para distal.

Os efeitos dos aparelhos funcionais sobre a dimensão transversal da maxila e mandíbula

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Estudo cefalométrico das alturas faciais anterior e posterior, em crianças brasileiras, portadoras de má oclusão Classe I de Angle, na fase de dentadura mista

Realizou-se um estudo das alturas faciais anterior e posterior em 79 crianças brasileiras, sendo 46 do gênero feminino e 33 do masculino, com idades de 8 a 11 anos, portadoras de má oclusão Classe I de Angle, na fase de dentadura mista, não submetidas a tratamento ortodôntico. Esta investigação utilizou duas radiografias cefalométricas em norma lateral, de cada criança, com intervalo de 8 a 16 meses entre uma radiografia e outra, para comparação dos dados cefalométricos. Foram estudadas as proporções faciais anteriores, ou seja, a relação entre as dimensões N-Me (AFT), N-ENA (AFS), ENA-Me (AFI) e o relacionamento entre as dimensões Ar-GO (AFP) e a distância entre o plano palatino ao mento (AFA) , isto é, o Índice da Altura Facial (IAF). Os resultados obtidos, possibilitaram constatar que as tendências de crescimento foram equilibradas em todas as situações estudadas; a dimensão altura facial inferior, contribuiu de forma mais significativa, nas alterações observadas na altura facial total; as proporções faciais anteriores se mantiveram em torno de 42% para a altura facial superior e 58% para a altura facial inferior; o índice da altura facial ou se manteve constante em torno de 0,66 ou apresentou uma tendência a aumentar com a idade; não ocorreu dimorfismo sexual com relação às proporções faciais e índice da altura facial.

Treatment Effects Produced by Fränkel Appliance in Patients with Class II, Division 1 Malocclusion

The purpose of this investigation was to evaluate the dentoalveolar and skeletal cephalometric changes produced by the Fränkel appliance in individuals with a Class II, division 1 malocclusion. Lateral cephalograms of 44 patients of both sexes were divided in two groups of 22 each. The control group was comprised of untreated Class II children with an initial mean age of eight years and seven months who were followed without treatment for a period of 13 months. The Fränkel group had an initial mean age of nine years and was treated for a mean period of 17 months. Lateral cephalometric headfilms of each patient were obtained at the beginning and end of treatment. The Fränkel appliance produced no significant changes in maxillary growth during the evaluation period, while a statistically significant increase in mandibular length was observed. The maxillomandibular relationship improved mostly because of an increase in mandibular length. In addition, there were no statistically significant differences in the craniofacial growth direction between the Fränkel and the control group, both showing a slight downward rotation of the palatal plane. The Fränkel appliance produced a labial tipping of the lower incisors and a lingual inclination of the upper incisors as well as a significant increase in mandibular posterior dentoalveolar height. It was concluded that the main effects of the Fränkel appliance during this time period were mostly dentoalveolar with a smaller but significant skeletal mandibular effect.

Effects of nitric oxide and arginine vasopressin on water intake induced by central angiotensin II. Part 1

We determined the effects of AT 1 and AT 2 (selective no peptides antagonists angiotensin receptors), arginine vasopressin V 1 receptor antagonist as well as L-arginine, a nitric oxide donor and N W-nitro-L-arginine methyl ester (L-NAME), a nitric oxide synthase inhibitor, injected into supraoptic nucleus (SON) on water and sodium intake induced by the injection of angiotensin II (ANGII). Male Holtzman rats weighing 200-250 g with canulae implanted into the SON were used. The drugs were injected in 0.5 μL over 30-60 sec. The water intake after injection of saline SAL+SAL 0.15 M NaCl was 0.40±0.1 mL 2 h -1; SAL+ANGII increase water intake. Losartan decreased the water intake induced by ANGII. PD123319 injected prior to produce no change in water intake induced by ANGII. AVPA prior to ANGII reduced the water intake with a less intensity than losartan. L-arginine prior to ANGII decreases the water intake at a same intensity than losartan. L-NAME prior to ANGII potentiated the dipsogenic effect of ANGII. Losartan injected simultaneously with L-arginine prior to ANGII blocked the dipsogenic effect of ANGII. These results confirm the importance of SON in the control of water intake and strongly suggest that AT 1, V 1 receptors interact with nitrergic pathways within the SON influencing the dipsogenic effect of ANGII.

Características morfológicas dentoesqueléticas das más oclusões de classe I, classe II e classe II subdivisão

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Avaliação das modificações dentárias decorrentes da utilização do aparelho pêndulo

Pós-graduação em Odontologia - FOA

Avaliação cefalométrica das alterações labiais de indivíduos dolicocéfalos portadores de má oclusão classe III, tratados com cirurgia bimaxilar

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

Enxerto de osso autógeno e barreira de sulfato de cálcio no tratamento de defeitos de furca classe II. Estudo histológico e histométrico em cães

Pós-graduação em Odontologia - FOA

Análise comparativa da infiltração marginal em restaurações de classe II em resina composta com diferentes técnicas de inserção

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Efeitos dentoesqueléticos do tratamento da classe II utilizando o aparelho de Herbst associados à mecânica Straight-wire

This study compared the effect of the treatment protocol for correcting Class Il malocclusion using the Herbst appliance followed by full fixed Straigh-wire mechanics, in two populations, one Brazilian and one of North American origin As a untreated control sample the data from the University of Michigan Elementary and Secondary School Growth Study (UMGS) was used. Our sample was composed of 12 males and 12 females, with initial mean age of 12 years 7 months and final mean ages of 15 years and 3 months. The Michigan patients comprised 21 females and 7 males, with an initial mean age of 11 years and 9 months and final mean age of 14 years and 4 months. The control sample was paired in number, sex and age to the treated Michigan sample. ln both treated groups, lateral cephalometric radiographs were obtained before the Herbst appliance was cemented and at the end of the fixed appliance phase, The first comparison involved the Brazil group and the untreated controls, which demonstrated that the association of the Herbst appliance followed by fixed Straight-wire appliances provoked positive effects on the dentofacial complex, improving pre-existing maxillo-mandibular relationships, besides increasing dentoalveolar compensations which contributed to correct the malocclusion. The second comparison, involved the Brazl1ian and North-American patients treated with the same protocol. Although the pre-treatment comparison showed that the two groups were not similar in all aspects, they presented almost identical therapeutic modifications, which indicate that the effect of' treatment was very similar. These results point out that, in Class ll treatment, the combination of Herbst/Straight-wire mechanics produce consistent and systematic effects, correcting or minimizing possible skeletal imbalances

Angiotensin II AT(1) receptor mutants expressed in CHO cells caused morphological change and inhibition of cell growth

To assess the importance of the leucine residues in positions 262 and 265 of the angiotensin AT, receptor for signaling pathways and receptor expression and regulation, we compared the properties of CHO cells transfected with the wild type or the L262D or L265D receptor point mutants. It was found that the two mutants significantly increased the basal intracellular cyclic AMP (cAMP) formation in an agonist-independent mode. The morphology transformation of CHO cells was correlated with the increased cAMP formation, since forskolin, a direct activator of adenylate cyclase mimicked this effect on WT-expressing CHO cells. DNA synthesis was found to be inhibited in these cell lines, indicating that cAMP may also have determined the inhibitory effect on cell growth, in addition to the cell transformation from a tumorigenic to a non-tumorigenic phenotype. However a role for an increased Ca2(+) influx induced by the mutants in non-stimulated cells cannot be ruled out since this ion also was shown to cause transformed cells to regain the morphology and growth regulation. (c) 2005 Elsevier B.V. All rights reserved.