Search results for " Active"
showing 10 items of 533 documents
Device-Based Measures of Sedentary Time and Physical Activity Are Associated With Physical Fitness and Body Fat Content
2020
Introduction/Purpose: Physical activity and sedentary time may associate with physical fitness and body composition. Yet, there exists some observational studies that have investigated the associations of device-based measures of sedentary time and physical activity (PA) with cardiorespiratory fitness (CRF) and body composition but associations with muscular fitness (MF) are less studied. Methods: Objective sedentary time and physical activity was measured by a hip worn accelerometer from 415 young adult men (age: mean 26, standard deviation 7 years). Cardiorespiratory fitness (VO2max) (CRF) was determined using a graded cycle ergometer test until exhaustion. Maximal force of lower extremit…
Observatory science with eXTP
2019
Disponible preprint en: arXiv:1812.04023v1 [astro-ph.HE] [v1] Mon, 10 Dec 2018 19:00:52 UTC (4,376 KB)
El Trabajo Social en residencias para personas mayores dependientes. De la burocracia a la empatía
2011
Las residencias para personas mayores dependientes aparecen como uno de los grandes ámbitos de intervención de los trabajadores sociales incluso mucho antes que apareciera la famosa 'Ley de Dependencia'. A través de este artículo viajaremos por esas funciones propias para descubrir un trabajo social más allá de la burocracia que nos precede y más cercano al desconocido perfil social y humano que nos caracteriza. Senior citizens' homes for the dependent have come forward as one of the major areas of intervention by social workers even long before the famous 'Law of Dependence' appeared. Through this article we will take a look at these particular functions to discover a type of social work b…
DNA nucleobase properties and photoreactivity: Modeling environmental effects
2009
Abstract The accurate ab initio quantum chemical (QM) method multiconfigurational second-order perturbation (CASSPT2)/complete active space self-consistent field (CASSCF) has been used in conjunction with molecular mechanics (MM) procedures to compute molecular properties and photoinduced reactivity of DNA/RNA nucleobases (NABs) in isolation and within a realistic environment, in which the double helix strand, the aqueous media, and the external counterions are included. It is illustrated that the use of an MM model is helpful both to account for short- and long-range effects of the system surrounding the QM molecular core and to provide the proper structural constraints that allow more acc…
Inorganic Protection of Polymer Nanocapsules: A Strategy to Improve the Efficiency of Encapsulated Optically Active Molecules
2018
On the relations between aromaticity and substituent effect
2019
Aromaticity/aromatic and substituent/substituent effects belong to the most commonly used terms in organic chemistry and related fields. The quantitative description of aromaticity is based on energetic, geometric (e.g., HOMA), magnetic (e.g., NICS) and reactivity criteria, as well as the properties of the electronic structure (e.g., FLU). The substituent effect can be described using either traditional Hammett-type substituent constants or characteristics based on quantum-chemistry. For this purpose, the energies of properly designed homodesmotic reactions and electron density distribution are used. In the first case, a descriptor named SESE (energy stabilizing the substituent effect) is o…
Restricted and complete-active-space multiconfiguration linear response calculations of the polarizability of formamide and urea
1991
Abstract Using the polarized basis sets of Sadlej, we have carried out multiconfiguration linear response (MCLR) calculations of static and dynamic polarizabilities of water, carbon dioxide, formamide and urea. It is found that the polarized basis sets give a good description of the polarizabilities. The uncorrelates (self-consistent field) polarizabilities are in general 10% or more lower than the experimental values. The correlation as introduced in the complete-active-space (CAS) and restricted-active-space (RAS) MCLR calculations recovers the major part of this deviation.
1984
Different polymeric transport systems for biologically active substances are presented. In the past, most of the reviews on polymeric drugs dealt with pharmaca, fixed to conventional water-soluble polymers. Naturally occuring transport proteins with their complex features have recently been imitated by micellar solubilized polymers. Polymerized liposomes from polymerizable lipids can be regarded as vesicular solubilized polymers and are discussed as stable models for biomembranes. By insertion of glycolipids, these liposomes are rendered susceptible to specific recognition by proteins. When natural or cleavable synthetic lipids are incorporated into polymerizable membranes, phase-separation…
Facile access to foldable redox-active flavin-peptide conjugates
2021
A convenient approach for the synthesis of foldable redox-active flavin peptide conjugates was established. A model β-hairpin oligopeptide motif was utilized to demonstrate that azidolysine side-chains are readily functionalised with an alkyne-bearing flavine derivative. The folding equilibrium of the peptide backbone as well as the redox behaviour of the flavin moieties remains intact after the conjugation.
Flexible Synthesis of Planar Chiral Azoninones and Optically Active Indolizidinones
2014
The flexible synthesis of defined substituted optically active indolizidinones starting from chiral pool (S)-proline and trans 4-hydroxy-(S)-proline is described. Several defined 2-vinylpyrrolidines were generated in short sequences. The aza-Claisen rearrangement using chloro and phenylketene equivalents delivered nine-membered-ring lactams with up to three stereogenic centres and pS-arranged E olefins. Depending on the substitution pattern, certain azoninones had a flexible conformation and showed pS/pR double-bond flipping. Treatment of the unsaturated lactams with the soft electrophile iodine induced diastereoselective transannular ring contractions. Here, the planar chiral arrangement o…