نتایج جستجو برای: electronic descriptors

تعداد نتایج: 241201  

2014
El Hassane Anouar Che Puteh Osman Jean-Frédéric F Weber Nor Hadiani Ismail

Root decoctions of anthraquinone-containing plants are often taken as postpartum tonic and aphrodisiac. Anthraquinones are known for their diverse biological activities, especially antioxidant and anticancer. A series of 35 anthraquinones was generated by isolation from Rubiaceae plants and synthesis. Their UV/vis spectrum depends on the nature and relative positions of auxochromic substituents...

Journal: :Revista da Escola de Enfermagem da U S P 2014
Lany Leide de Castro Rocha Campelo Sarah Maria Esequiel Costa Luciana de Almeida Colvero

Objective To identify the difficulties of families with children and/or adolescents with mental disorder. Method This is an integrative review. In December 2013, an electronic search was performed on Latin American Caribbean Literature on Health Sciences databases (LILACS) and on Electronic Medicus Index of the National Library of Medicine (MEDLINE) indexed in the Health Virtual Library (BVS) u...

2017
Gaël Rouillé Cornelia Jäger Friedrich Huisken Thomas Henning Regina Czerwonka Gabriele Theumer Carsten Börger Ingmar Bauer Hans-Joachim Knölker

Reversed-phase high-performance liquid chromatography (RP-HPLC) has been carried out for a series of unsubstituted polycyclic aromatic hydrocarbons (PAHs) and the corresponding ethynyl, 1,3-butadiynyl, and 1,3,5-hexatriynyl derivatives. Theoretical values of the isotropic polarizability and several polarity descriptors have been computed for each compound by using semiempirical models and densi...

Journal: :Revista de salud publica 2011
Sheilla Tribess Ricardo Jacó de Oliveira

OBJECTIVE The aim of this study was to identify the prevalence and assessment strategies of Biological Fragility Syndrome in the Elderly. METHODS For the development of this study was it was done a search in electronic databases (Medline/PubMed) and the reference lists of articles identified using the following key words/terms in English: "frailty" and `frail" in conjunction with the terms "e...

Journal: :J. Comput. Meth. in Science and Engineering 2007
Gregorio Guzmán-Ramírez Agustín Segovia-Ríos Jorge Sierra-Arellano Juvencio Robles

In this paper we study the small Na+N (N 12) cationic clusters fragmentation channels, with all electronic calculations performed at the B3LYP/6–311G+(d,p) DFT level of theory. For these cluster sizes, we obtain for all neutral, cationic, bi-cationic and anionic species the optimized geometries, total energies and electronic properties such as the adiabatic ionization potentials, electron affin...

1996
Andreas Paepcke Steve B. Cousins Hector Garcia-Molina Scott W. Hassan Steven P. Ketchpel Martin Röscheisen Terry Winograd

We outline the five main research thrusts of the Stanford Digital Library project, and we describe technical details for two specific efforts that have been realized in prototype implementations. First, we describe how we employ distributed object technology to cope with interoperability among emerging digital library services. In particular, we describe how we use CORBA objects as wrappers to ...

J. Movaffagh Z. Bayat

It is important to determine whether a candidate molecule is capable of penetrating the plasma-brain barrier indrug discovery and development. The aim of this paper is to establish a predictive model for plasma-brainbarrier penetration using simple descriptors The usefulness of the quantum chemical descriptors, calculated atthe level of the DFT and HE theories using 6-310* basis set for QSAR st...

2016
Wenming Sun Daniele Varsano Rosa Di Felice

G-quadruplex is a quadruple helical form of nucleic acids that can appear in guanine-rich parts of the genome. The basic unit is the G-tetrad, a planar assembly of four guanines connected by eight hydrogen bonds. Its rich topology and its possible relevance as a drug target for a number of diseases have stimulated several structural studies. The superior stiffness and electronic π-π overlap bet...

Journal: :Acta Crystallographica Section A Foundations of Crystallography 1989

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