Antioxidant capacity and biological activity of essential oil and methanol extract of Conobea scoparioides (Cham. & Schltdl.) Benth

Os óleos essenciais da planta sub-aquática Conobea scoparioides (fresca e previamente seca) apresentaram rendimentos de 3,4 e 3,3%, respectivamente. Os principais constituintes identificados foram o éter metílico do timol (39,6 e 47,7%), timol (40,0 e 26,4%), α-felandreno (12,1 e 14,3%) e p-cimeno (1,5 e 1,7%), totalizando mais de 90% nos referidos óleos. A concentração de seqüestro do radical DPPH (CE50) dos óleos e extrato foi de 46,7 ± 3,6 µg mL^-1 para a planta fresca (CsO-f), de 56,1 ± 2,4 µg mL^-1 para a planta seca (CsO-d), e de 23,0 ± 2,2 µg mL^-1 para o extrato metanólico (CsE-d). O valor do extrato é comparável ao BHT (19,8 ± 0,5 µg mL^-1), usado como padrão antioxidante. O valor médio dos óleos é duas vezes menor, mas igualmente importante como agente antioxidante. O teor de Fenólicos Totais (TP, 124,6 ± 8,7 mg GAE per g) e o Trolox Equivalente (TEAC, 144,1 ± 4,9 mg TE per g) do extrato metanólico confirmaram a significativa atividade antioxidante de C. scoparioides. Da mesma forma, nos bioensaios com larva de camarão (Artemia salina) o valor médio da concentração letal dos óleos (CL₅₀, 7,7 ± 0,3 µg mL^-1) foi dez vezes maior que no extrato metanólico (CL₅₀, 77,6 ± 7,1 µg mL^-1) mostrando importante atividade biológica.

Antioxidant capacity and biological activity of essential oil and methanol extract of Hyptis crenata Pohl ex Benth

O óleo essencial das folhas e ramos finos frescos e secos de Hyptis crenata forneceu os seguintes rendimentos, 1,4% e 0,9%. Os constituintes voláteis principais foram α-pineno (22,0%; 19,5%), 1,8-cineol (17,6%; 23,2%), β-pineno (17,0%: 13,8%), cânfora (4,7%; 11,6%), limoneno (5,4%; 4,4%) e γ-terpineno (3,5%; 2,4%), totalizando mais de 70% nos óleos. A atividade de seqüestro do radical DPPH para o extrato metanólico (CE₅₀, 16,7 + 0,4 µg/mL) foi comparável ao do BHT (19,8 ± 0,5 µg/mL) mostrando uma significante atividade antioxidante. Os óleos apresentaram baixa atividade. O teor de fenólicos totais (TP, 373,0 + 15,9 mg GAE/g) e equivalente trolox (TEAC, 226,8 + 0,5 mg TE/g) confirmaram a atividade antioxidante do extrato metanólico, que pode ser atribuída à presença de compostos fenólicos polares. No teste com larvas de camarão as concentrações letais para o óleo e extrato metanólico foram 6,7 + 0,2 µg/mL e 13,0 + 3,7 µg/mL, respectivamente, fornecendo importante evidência de suas atividade biológicas.

Characterization of the chemical composition of the essential oils from Annona emarginata (Schltdl.) H. Rainer 'terra-fria' and Annona squamosa L.

O objetivo do presente estudo foi caracterizar a composição química do óleo essencial das folhas de Annona emarginata (Schltdl.) H. Rainer 'terra-fria' e Annona squamosa L. As espécies foram cultivadas em casa de vegetação, com aplicação semanal de solução nutritiva até completar 18 meses, quando se realizaram a colheita e a secagem das folhas para a extração do óleo essencial, analisado por cromatografia gasosa acoplada à espectrometria de massas, para estudo dos perfis químicos. Onze substâncias majoritárias foram encontradas no óleo essencial de A. emarginata: (E)-cariofileno-29,29%; (Z)-cariofileno-16,86%; γ-muroleno-7,54%; α-pineno-13,86%; tricicleno-10,04%. No óleo de A. squamosa, 10 substâncias foram detectadas, entre elas: (E)-cariofileno-28.71%; (Z)-cariofileno-14,46%; α-humuleno-4,41%; canfeno-18,10%; α-pineno-7,37%, e β-pineno-8,71%; longifoleno-5,64%; majoritárias. (E)-cariofileno; (Z)-cariofileno; α-humuleno; canfeno; α-pineno, e β-pineno foram as seis substâncias comuns às duas espécies.

The effect of a minor constituent of essential oil from Citrus aurantium: The role of beta-myrcene in preventing peptic ulcer disease

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

Child safety from the perspective of essential needs

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

In vitro and in vivo acaricide action of juvenoid analogs produced from the chemical modification of Cymbopogon spp. and Corymbia citriodora essential oil on the cattle tick Rhipicephalus (Boophilus) microplus

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Controllability and stabilizability of linear time-varying distributed hereditary control systems

This paper is concerned with the controllability and stabilizability problem for control systems described by a time-varyinglinear abstract differential equation with distributed delay in the state variables. An approximate controllability propertyis established, and for periodic systems, the stabilization problem is studied. Assuming that the semigroup of operatorsassociated with the uncontrolled and non delayed equation is compact, and using the characterization of the asymptoticstability in terms of the spectrum of the monodromy operator of the uncontrolled system, it is shown that the approximatecontrollability property is a sufficient condition for the existence of a periodic feedback control law that stabilizes thesystem. The result is extended to include some systems which are asymptotically periodic. Copyright © 2014 John Wiley &Sons, Ltd.

Glandular trichome density and essential oil composition in leaves and inflorescences of Lippia origanoides Kunth (Verbenaceae) in the Brazilian Cerrado

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

Non-hematopoietic PAR-2 is essential for matriptase-driven pre-malignant progression and potentiation of ras-mediated squamous cell carcinogenesis

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

Bioactivity of pelargonium graveolens essential oil and related monoterpenoids against sweet potato whitefly, bemisia tabaci biotype B

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

Riemannian Submersions with Discrete Spectrum

We prove some estimates on the spectrum of the Laplacian of the total space of a Riemannian submersion in terms of the spectrum of the Laplacian of the base and the geometry of the fibers. When the fibers of the submersions are compact and minimal, we prove that the spectrum of the Laplacian of the total space is discrete if and only if the spectrum of the Laplacian of the base is discrete. When the fibers are not minimal, we prove a discreteness criterion for the total space in terms of the relative growth of the mean curvature of the fibers and the mean curvature of the geodesic spheres in the base. We discuss in particular the case of warped products.

Electrophysiological Responses of the Naupactus bipes Beetle to Essential Oils from Piperaceae Species

Electrophysiological responses based on electroantennographic detection (GC-EAD) and electroantennography (EAG) analysis of Naupactus bipes beetles (Germar, 1824) (Coleoptera: Curculionidae: Brachycerinae) were used to test volatile oils of Piper gaudichaudianum, P. regnellii and P. hispidum. In the EAG experiments, female and male beetles showed significant EAG response to the three volatile oils of Piper species, with the females' responses slightly higher than the males'. The experiments with GC-EAD revealed that some terpenoids (namely, alpha-pinene, beta-pinene, myrcene, alpha-copaene and germacrene) present in the leaf essential oils of the Piper species are perceptible to female and male beetles.

Theoretical Study of the Absorption Spectra of Photosynthetic Pigments

The first stage of the photosynthetic process is the extraordinary efficiency of sunlight absorption in the visible region [1]. This region corresponds to the maximum of the spectral radiance of the solar emission. The efficient absorption of visible light is one of the most important characteristics of photosynthetic pigments. In chlorophylls, for example, the absorptions are seen as a strong absorption in the region 400-450 nm in connection with other absorptions with small intensities in the region of 500-600 nm. This work aims at understanding the essential features of the absorption spectrum of photosynthetic pigments, in line with several theoretical studies in the literature [2, 3]. The absorption spectra were calculated for H2-Porphyrin, Mg-Porphyrin, and Zn-Porphyrin, and for H2-Phthalocyanine and Mg-Phthalocyanine with and without the four peripheral eugenol substituents. The geometries were optimized using the B3LYP/6-31+G(d) theoretical model. For the calculation of the absorption spectra different TD-DFT calculations were performed (B3LYP, CAM-B3LYP, O3LYP, M06-2X and BP86) along with CIS (D). For the spectra the basis set 6-311++G (d, p) was used for porphyrins and 6-31+G (d) was used for the other systems. At this stage the solvent effects were considered using the simplified continuum model (PCM). First a comparison between the results using the different methods was made. For the porphyrins the best results compared to experiment (both in position and intensities) are obtained with M06-2X and CIS (D). We also analyze the compatibility of the four-orbital model of Gouterman [4] that states that transitions could be well described by the HOMO-1, HOMO, LUMO, and LUMO+1 molecular orbitals. Our results for H2-Porphyrin shows an agreement with other theoretical results and experimental data [5]. For the phthalocyanines (including the four peripheral eugenol substituents) the results are also in good agreement compared with the experimental results given in ref [6]. Finally, the results show that the inclusion of solvent eÆects gives corrections for the spectral shift in the correct direction but numerically small. References [1] R.E. Blankenship; “Molecular Mechanisms of Photosynthesis", Blackwell Science (2002). [2] P. Jaramillo, K. Coutinho, B.J.C. Cabral and S. Canuto; Chem. Phys. Lett., 516, 250(2011). [3] L. Petit, A. Quartarolo, C. Adamo and N. Russo; J. Phys. Chem. B, 110, 2398(2006). [4] M. J. Gouterman; Mol. Spectr., 6, 138(1961). [5] M. Palummo, C. Hogan, F. Sottile, P. Bagal∂a and A. Rubio; J. Chem. Phys., 131, 084102(2009). [6] E. Agar, S. Sasmaz and A. Agar; Turk. J. Chem., 23, 131(1999).

Stream sediments analysis for geochemical mapping of Romagna Apennines (Northern Italy): monitoring and management tool of environmental resources at various scales

Geochemical mapping is a valuable tool for the control of territory that can be used not only in the identification of mineral resources and geological, agricultural and forestry studies but also in the monitoring of natural resources by giving solutions to environmental and economic problems. Stream sediments are widely used in the sampling campaigns carried out by the world's governments and research groups for their characteristics of broad representativeness of rocks and soils, for ease of sampling and for the possibility to conduct very detailed sampling In this context, the environmental role of stream sediments provides a good basis for the implementation of environmental management measures, in fact the composition of river sediments is an important factor in understanding the complex dynamics that develop within catchment basins therefore they represent a critical environmental compartment: they can persistently incorporate pollutants after a process of contamination and release into the biosphere if the environmental conditions change. It is essential to determine whether the concentrations of certain elements, in particular heavy metals, can be the result of natural erosion of rocks containing high concentrations of specific elements or are generated as residues of human activities related to a certain study area. This PhD thesis aims to extract from an extensive database on stream sediments of the Romagna rivers the widest spectrum of informations. The study involved low and high order stream in the mountain and hilly area, but also the sediments of the floodplain area, where intensive agriculture is active. The geochemical signals recorded by the stream sediments will be interpreted in order to reconstruct the natural variability related to bedrock and soil contribution, the effects of the river dynamics, the anomalous sites, and with the calculation of background values be able to evaluate their level of degradation and predict the environmental risk.

Analytische Ableitungen der Energie für den "Equation-of-Motion-Coupled-Cluster"-Ansatz zur Berechnung von Ionisationspotentialen

In der vorliegenden Arbeit wird die Theorie der analytischen zweiten Ableitungen für die EOMIP-CCSD-Methode formuliert sowie die durchgeführte Implementierung im Quantenchemieprogramm CFOUR beschrieben. Diese Ableitungen sind von Bedeutung bei der Bestimmung statischer Polarisierbarkeiten und harmonischer Schwingungsfrequenzen und in dieser Arbeit wird die Genauigkeit des EOMIP-CCSD-Ansatzes bei der Berechnung dieser Eigenschaften für verschiedene radikalische Systeme untersucht. Des Weiteren können mit Hilfe der ersten und zweiten Ableitungen vibronische Kopplungsparameter berechnet werden, welche zur Simulation von Molekülspektren in Kombination mit dem Köppel-Domcke-Cederbaum (KDC)-Modell - in der Arbeit am Beispiel des Formyloxyl (HCO2)-Radikals demonstriert - benötigt werden.rnrnDer konzeptionell einfache EOMIP-CC-Ansatz wurde gewählt, da hier die Wellenfunktion eines Radikalsystems ausgehend von einem stabilen geschlossenschaligen Zustand durch die Entfernung eines Elektrons gebildet wird und somit die Problematik der Symmetriebrechung umgangen werden kann. Im Rahmen der Implementierung wurden neue Programmteile zur Lösung der erforderlichen Gleichungen für die gestörten EOMIP-CC-Amplituden und die gestörten Lagrange-Multiplikatoren zeta zum Quantenchemieprogramm CFOUR hinzugefügt. Die unter Verwendung des Programms bestimmten Eigenschaften werden hinsichtlich ihrer Leistungsfähigkeit im Vergleich zu etablierten Methoden wie z.B. CCSD(T) untersucht. Bei der Berechnung von Polarisierbarkeiten und harmonischen Schwingungsfrequenzen liefert die EOMIP-CCSD-Theorie meist gute Resultate, welche nur wenig von den CCSD(T)-Ergebnissen abweichen. Einzig bei der Betrachtung von Radikalen, für die die entsprechenden Anionen nicht stabil sind (z.B. NH2⁻ und CH3⁻), liefert der EOMIP-CCSD-Ansatz aufgrund methodischer Nachteile keine aussagekräftige Beschreibung. rnrnDie Ableitungen der EOMIP-CCSD-Energie lassen sich auch zur Simulation vibronischer Kopplungen innerhalb des KDC-Modells einsetzen.rnZur Kopplung verschiedener radikalischer Zustände in einem solchen Modellpotential spielen vor allem die Ableitungen von Übergangsmatrixelementen eine wichtige Rolle. Diese sogenannten Kopplungskonstanten können in der EOMIP-CC-Theorie besonders leicht definiert und berechnet werden. Bei der Betrachtung des Photoelektronenspektrums von HCO2⁻ werden zwei Alternativen untersucht: Die vertikale Bestimmung an der Gleichgewichtsgeometrie des HCO2⁻-Anions und die Ermittlung adiabatischer Kraftkonstanten an den Gleichgewichtsgeometrien des Radikals. Lediglich das adiabatische Modell liefert bei Beschränkung auf harmonische Kraftkonstanten eine qualitativ sinnvolle Beschreibung des Spektrums. Erweitert man beide Modelle um kubische und quartische Kraftkonstanten, so nähern sich diese einander an und ermöglichen eine vollständige Zuordnung des gemessenen Spektrums innerhalb der ersten 1500 cm⁻¹. Die adiabatische Darstellung erreicht dabei nahezu quantitative Genauigkeit.