M. Barbieri, M. Fornaseri, Adelia Penta,
The rubidium and potassium content of extrusive and pyroclastic rocks of Alban Hills, Vico and Cimino Volcanoes as well as of their minerals such as leucite, sanidine, biotite and zeolites have been investigated. The extrusive rocks of Alban Hills (Colli Albani) have a K/Rb ratio of 174; the rocks of Vico Volcano have a ratio of 141 and those of Cimino Volcano a ratio of 188. The pyroclastic rocks of Alban Hills show a K/Rb ratio of 104, and those of Vico Volcano a ratio of 78. Both are significantly ...
Tópico(s): earthquake and tectonic studies
1968 - Elsevier BV | Chemical Geology
Vivette Girault, Adélia Sequeira,
Tópico(s): Nonlinear Partial Differential Equations
1991 - Springer Science+Business Media | Archive for Rational Mechanics and Analysis
The purpose of this paper was to analyze the evolution and regional distribution of both forest fire ignitions and burnt areas in mainland Portugal and to identify the relationship between biophysical and human variables and the incidence of forest fires at the district level over the last 3 decades (1980–2009). A positive trend can be observed in the number of fires and in the areas burnt by forest fires since 1980. An interesting regional distribution of forest fire ignitions and burned areas was ...
Tópico(s): Landslides and related hazards
2012 - Elsevier BV | Applied Geography
M.M.L. Ribeiro Carrott, António Candeias, P.J.M. Carrott, Peter I. Ravikovitch, Alexander V. Neimark, Adélia Sequeira,
Nitrogen, neopentane, n-hexane, benzene and methanol adsorption isotherms were determined on five samples of silica grade MCM-41 with different pore sizes and a comparison of different methods for evaluating the pore size was carried out. With nitrogen we found a remarkably good agreement between the results obtained from the non-local density functional theory and geometric methods, with corresponding values obtained by the two methods differing by less than 0.05 nm. On the other hand, the results ...
Tópico(s): Catalytic Processes in Materials Science
2001 - Elsevier BV | Microporous and Mesoporous Materials
This study examines the use of smartphones by Alabama Advanced Practice Nurses to find information to address clinical questions and seeks to describe the types of questions answered using smartphones; barriers to information seeking; apps and online resources perceived as most helpful; and training/resource needs. Information collected in this study can be used by libraries that serve nursing students to develop training and resources to assist both nursing students and practicing nurses to become ...
Tópico(s): Mobile Learning in Education
2015 - Taylor & Francis | Medical Reference Services Quarterly
Antonio Fasano, Adélia Sequeira,
This monograph illustrates applications of mathematics to various processes (physiological or artificial) involving flowing blood.
Tópico(s): Statistical and Computational Modeling
2017 - | Modeling, simulation & applications
Joseph B. Lambert, Adelia R. Vagenas,
Abstract The γ effects on 13 C shielding have been examined for a series of rigid molecules containing the substituents CH 3 , OH, NH 2 , F, Cl, Br or I. Plots of the γ effect vs the CC‐αC‐βX dihedral angle are well scattered if the plots do not distinguish modes of substitution. For the series in which the resonating carbon is CH 2 , however, fairly linear correlations are observed for XCH 3 , OH, NH 2 , Cl and Br. It is concluded that within a structurally defined and substitutionally homogeneous series, ...
Tópico(s): Molecular Spectroscopy and Structure
1981 - Wiley | Organic Magnetic Resonance
Joseph B. Lambert, Adelia R. Vagenas,
Abstract Three γ effects on 13 C shielding in 3,3‐dimethylheteracyclohexanes as a function of the hetero‐atom X have been examined. The γ‐ anti effect on the equatorial 3‐methyl group is small in absolute magnitude but strongly dependent on the polar properties of X. The plot of the 13 C shielding of this carbon vs the electronegativity of X is linear, with a slope of −5.8 ppm/electronegativity unit. The γ‐ gauche effects on the axial 3‐methyl group and on the 4‐carbon are large in absolute magnitude ...
Tópico(s): Organic Chemistry Cycloaddition Reactions
1981 - Wiley | Organic Magnetic Resonance
Sidney Eng, Flor Adelia Torres Hernández,
BMCC Library is using streaming video technology to extend the electronic reserves service to include audio and videos. We have found that a streaming video project can be managed by non-technical staff with results that empower staff and impress students and faculty with their ease of use. The role of technical services in the library has evolved considerably, a process driven in part by technology. Consistent with this trend, our technical services department was asked to manage an electronic ...
Tópico(s): Digital and Traditional Archives Management
2006 - Taylor & Francis | Library Collections Acquisitions and Technical Services
Juanjuan He, Xue Li, Gustavo T. M. Silva, Frank H. Quina, Adélia J. A. Aquino,
Anthocyanins are the natural plant pigments responsible for most of the red, blue and purple colors of flowers and fruit.One method of stabilization of the color of anthocyanins in nature is intramolecular copigmentation, in which a copigment molecule covalently attached to one of the sugar residues complexes with the anthocyanin cation chromophore.In the present work, two quantum chemical methodologies, time-dependent density functional theory (TD-DFT) and secondorder algebraic diagrammatic construction ( ...
Tópico(s): Dye analysis and toxicity
2018 - Brazilian Chemical Society | Journal of the Brazilian Chemical Society
Daniel Tunega, Martin H. Gerzabek, Georg Haberhauer, Hans Lischka, Roland Šolc, Adélia J. A. Aquino,
Abstract Humic substances (HSs) as a major part of soil organic matter (SOM) are complex combinations of natural organic matter, which are ubiquitous in the environment and occur predominantly in soils, residues and natural water. They play a crucial role in the fate and behaviour of contaminants in the environment. In this work, an HS nanopore model was based on a structural motif containing polar and nonpolar domains. The polar domain was represented by the carboxyl groups that predominate in the ...
Tópico(s): Groundwater flow and contamination studies
2019 - Wiley | European Journal of Soil Science
Produção Nacional
Revisado por pares
Nadeesha J. Silva, Francisco B. C. Machado, Hans Lischka, Adélia J. A. Aquino,
High level ab initio calculations ranging from coupled cluster methods including explicitly correlated approaches to standard second order Møller-Plesset theory using spin scaling (SOS-MP2) have been performed on sandwich and slipped parallel dimer structures of a series of quasi one-dimensional acenes and on two-dimensional sheets containing the pyrene to coronene series encircled with two layers of benzene rings. Sandwich (graphitic AA type) and slipped parallel (AB type) structures were considered ...
Tópico(s): Advanced NMR Techniques and Applications
2016 - Royal Society of Chemistry | Physical Chemistry Chemical Physics
Hans Lischka, Mario Barbatti, Farhan Siddique, Anita Das, Adélia J. A. Aquino,
Surface hopping photodynamics simulations have been performed on a cluster of thymine interacting with six water molecules (T(H2O)6). The second-order algebraic diagrammatic construction method (ADC(2)) has been used for calculating the required electronic energies and excited state gradients. Comparison with the previously performed photodynamics for the isolated thymine (Molecules 21 (2016) 1603) shows a similar global behavior and the central role of the S1(nπ∗) minimum for further long-term dynamics. ...
Tópico(s): Photochemistry and Electron Transfer Studies
2018 - Elsevier BV | Chemical Physics
Abstract In actin‐free extracts of rabbit white muscles complexes form between delta protein, myogen (mainly glycolytic enzymes) and myosin, detectable in electrophoretic patterns of both limbs. The complexes are concentration sensitive, nearly absent when total protein is below 5 mgm/ml, but increasing at higher concentrations. At 65 mgm/ml about 60% is bound at 1°C. Complex concentrations can be calculated by making Rayleigh fringe counts on two portions of the same solution, one more concentrated, ...
Tópico(s): thermodynamics and calorimetric analyses
1971 - Wiley | Journal of Cellular Physiology
Mario Barbieri, Adelia Penta, B. Turi,
Tópico(s): High-pressure geophysics and materials
1975 - Springer Science+Business Media | Contributions to Mineralogy and Petrology
S. Pereira, M. R. Correia, Eduarda Pereira, K.P. O’Donnell, Robert Martin, Mark E. White, E. Alves, Adélia Sequeira, N. Franco,
The observation of multiple, X-ray diffraction (XRD) and photoluminescence (PL) peaks in an InGaN epilayer is sometimes regarded as an indicator of phase segregation. In this report, a detailed characterisation of a InGaN/GaN bilayer by a combination of XRD and Rutherford backscattering spectrometry (RBS) shows that splitting of the XRD peak may occur in the absence of phase decomposition. An XRD reciprocal space map performed on the (105) plane shows that one component of the partially resolved InGaN ...
Tópico(s): ZnO doping and properties
2002 - Elsevier BV | Materials Science and Engineering B
Kevin Tansey, Jean-Marie Gr�goire, Elisabetta Binaghi, Luigi Boschetti, Pietro Alessandro Brivio, Д.В. Ершов, St�phane Flasse, Robert Fraser, Dean Graetz, Marta Maggi, Pascal Peduzzi, JOs� Pereira, João M. N. Silva, Adélia Sousa, Daniela Stroppiana,
Tópico(s): Remote Sensing in Agriculture
2004 - Springer Science+Business Media | Climatic Change
S. Pereira, M. R. Correia, T. Monteiro, E. Pereira, E. Alves, Adélia Sequeira, N. Franco,
The effect of strain on the compositional and optical properties of a set of epitaxial single layers of InxGa1−xN was studied. Indium content was measured free from the effects of strain by Rutherford backscattering spectrometry. Accurate knowledge of the In mole fraction, combined with x-ray diffraction measurements, allows perpendicular strain (εzz) to be evaluated. Optical band gaps were determined by absorption spectroscopy and corrected for strain. Following this approach, the strain free dependence ...
Tópico(s): Ga2O3 and related materials
2001 - American Institute of Physics | Applied Physics Letters
Adélia Nunes, Luciano Lourenço,
This study analyses spatial variability and trends in annual and monthly precipitation (amount and concentration) based on data from 42 stations in mainland Portugal during the period 1960–2011. Relationships between certain geographic variables (elevation, latitude and longitude) and precipitation variability were also determined in order to check for specific dependencies and spatial patterns in precipitation distribution, concentration and changing trends. Trends and relationships have been analysed ...
Tópico(s): Spatial and Panel Data Analysis
2015 - Springer Nature | Journal of Geographical Sciences
Flora Ferreira Leite, António Bento‐Gonçalves, António Vieira, Adélia Nunes, Luciano Lourenço,
Tópico(s): Landslides and related hazards
2016 - Springer Science+Business Media | Natural Hazards
São Vicente Island is in the Republic of Cape Verde. It lies within the Sahelian zone and faces several natural risks, one of which is flash flooding. Based on a questionnaire entitled Flash Flood Risk Perception in Cape Verde, applied to 203 subjects, influence the behavioural decision making adopted by people when confronted with this natural hazard. A multivariate technique was conducted on the main dimensions (categorical principal components analysis, CATPCA) to identify the primary factors ...
Tópico(s): Tropical and Extratropical Cyclones Research
2020 - Wiley | Geographical Journal
VicenÅ£iu RÄdulescu, Adélia Sequeira, V. A. Solonnikov,
We consider spectral optimization problems of the form min λ1(Ω; D) : Ω ⊂ D, |Ω| = 1 , where D is a given subset of the Euclidean space R d .Here λ1(Ω; D) is the first eigenvalue of the Laplace operator -∆ with Dirichlet conditions on ∂Ω ∩ D and Neumann or Robin conditions on ∂Ω ∩ ∂D.The equivalent variational formulation λ1(Ω; D) = minreminds the classical drop problems, where the first eigenvalue replaces the total variation functional.We prove an existence result for general shape cost functionals and we show some ...
Tópico(s): Differential Equations and Numerical Methods
2016 - American Mathematical Society | Contemporary mathematics - American Mathematical Society
Open access (OA) is a relatively new concept in the long history of published scholarly communication. Although there were already some open access journals in 2002, many point to the Budapest Open Access Initiative (BOAI) held in that year as the beginning point of the “open access movement.” The BOAI called for freely available literature which permits “users to read, download, copy, distribute, print, search, or link to the full texts of these articles, crawl them for indexing, pass them as data ...
Tópico(s): Library Collection Development and Digital Resources
2015 - Virginia Tech University Libraries | Virginia Libraries
Amandeep Brar, Daniel K. Unruh, Adélia J. A. Aquino, Clemens Krempner,
The new phosphoranylideneketene, (cyclohexyl)3PCCO, was synthesized and structurally as well as spectroscopically characterized. Ph3PCCO and (cyclohexyl)3PCCO were found to be weak ambidentate Lewis bases capable of donating to strong Lewis acids via the ylidic carbon or the carbonyl oxygen.
Tópico(s): Synthesis and characterization of novel inorganic/organometallic compounds
2019 - Royal Society of Chemistry | Chemical Communications
Felix Plasser, Mario Barbatti, Adélia J. A. Aquino, Hans Lischka,
The excited-state mono- and diproton transfer has been investigated in the S(1) state of [2,2'-bipyridyl]-3,3'-diol using the quantum mechanical resolution-of-identity second-order approximate coupled-cluster (RI-CC2) and time-dependent density functional theory (TDDFT) methods. Static investigation of stationary points and scans of the pi pi* and n pi* energy surfaces have been performed. These calculations show that the concerted diproton transfer in S(1) proceeds along a ridge thus making this process ...
Tópico(s): Spectroscopy and Quantum Chemical Studies
2009 - American Chemical Society | The Journal of Physical Chemistry A
Mario Barbatti, Matthias Ruckenbauer, Jarosław J. Szymczak, Adélia J. A. Aquino, Hans Lischka,
Multireference ab initio dynamics simulations have become available as a tool for the investigation of photochemical processes, mainly for those related to nonadiabatic phenomena taking place in the sub-picosecond time scale. For organic molecules, these phenomena are in many cases deeply dependent on the relaxation of the photoexcited π-system. We review the latest contributions of our group to this subject and report new results for systems studied previously, grouping them in single π bonds, ...
Tópico(s): Luminescence and Fluorescent Materials
2008 - Royal Society of Chemistry | Physical Chemistry Chemical Physics
Mario Barbatti, Adélia J. A. Aquino, Hans Lischka,
Experiments on 2-pyridone (2PY) [Y. Matsuda, T. Ebata, N. Mikami, J. Chem. Phys. 113 (2000) 573; J.A. Frey, R. Leist, C. Tanner, H.M. Frey, S. Leutwyler, J. Chem. Phys. 125 (2006) 114308] have revealed that specific vibrational bands in the laser-induced fluorescence spectrum are missing in comparison to the fluorescence depletion spectrum. The possibility of mode-induced non-radiative decay has been raised in order to explain the effect. In the present work, this hypothesis is tested by an extensive ...
Tópico(s): Advanced Chemical Physics Studies
2008 - Elsevier BV | Chemical Physics
Mario Barbatti, Adélia J. A. Aquino, Hans Lischka,
Semi-classical simulations of the UV-photoabsorption cross sections of adenine, guanine, cytosine, thymine, and uracil in gas phase were performed at the resolution-of-identity coupled cluster to the second-order (RI-CC2) level. With the exception of cytosine, the spectra of the other four nucleobases show a two band pattern separated by a low intensity region. The spectrum of cytosine is shaped by a sequence of three bands of increasing intensity. The first band of guanine is composed by two ππ* ...
Tópico(s): Spectroscopy and Quantum Chemical Studies
2010 - Royal Society of Chemistry | Physical Chemistry Chemical Physics
Ivelina Georgieva, Natasha Trendafilova, Adélia J. A. Aquino, Hans Lischka,
The interaction of lanthanide(III) cations (Ln(III) = Sm(III), Eu(III), and Tb(III)) with the deprotonated form of the coumarin-3-carboxylic acid (cca-) has been investigated by density functional theory (DFT/B3LYP) and confirmed by reference MP2 and CCSD(T) computations. Solvent effects on the geometries and stabilities of the Ln(III) complexes were computed using a combination of water clusters and a continuum solvation model. The following two series of systems were considered: (i) Ln(cca)2+, Ln(cca) ...
Tópico(s): Metal complexes synthesis and properties
2007 - American Chemical Society | Inorganic Chemistry
Mario Barbatti, Adélia J. A. Aquino, Hans Lischka,
Abstract CASSCF and MR-CI calculations have been used for the optimization of conical intersections and stationary points and for surface hopping dynamics on the excited-state energy surfaces of CH2 . Scans of the potential energy surfaces in the stretching and torsional coordinates were performed with inclusion of the 3s and 3p Rydberg states. The non-adiabatic relaxation of the system follows a two-step mode. First, the photoexcited system decays from the S2 to the S1 state along the CN stretching ...
Tópico(s): Spectroscopy and Laser Applications
2006 - Taylor & Francis | Molecular Physics