Search results for "DF"
showing 10 items of 1699 documents
ENANTIOSELECTIVE REDUCTION OF PROCHIRAL KETONES PROMOTED BY AMINO AMIDE RUTHENIUM COMPLEXES: A DFT STUDY
2021
International audience; The origin of enantioselectivity in the reaction of chiral Ru amino amide complexes in the asymmetric transfer hydrogenation of acetophenone was investigated using DFT calculations. For the most stable active catalysts, the full free energy profiles for the reaction were calculated according to the concerted hydrogen transfer mechanism. We succeeded in reproducing the experimentally observed enantioselectivity for the studied Ru amino amide complexes. Our results indicate that the high enantioselectivity can be explained by a stabilizing CH-π interaction existing between the phenyl group of acetophenone and the aromatic substituent of the catalyst, which plays a sign…
Emissions of Greenhouse Gases and Climate Politics in the Latvian Waste Sector
2015
According IPCC guidelines for determination of greenhouse gases in waste management (IPCC 2006) the quantity of greenhouse gases must be determined for the emissions of CO2, CH4, N2O for such treatment activities: disposal of solid waste, biological treatment of solid waste and incineration and open burning of waste. Presented report reviles the current situation of this field in Latvia and conclusions on its minimization actions. The data received from Latvian environmental data bases shows that the quantity of disposed unsorted municipal waste is rising and created sanitary landfill system with anaerobic digestion of bio mas (the content of it in the disposed waste reaches 40–50 %) is pro…
Analysis of anaerobic power in club level young rowers
2013
Aim: To date, assessment of the anaerobic components to determine performance in rowers is not part of standard evaluation or monitoring set for training. The aim of this study was to evaluate the relation between anaerobic power output and ergometer rowing performance over 2000 meters, in a group of 14 -17 years old rowers (n = 11). Methods: Each subject performed, in three separate days, two “all-out” tests, over 20 and 60 seconds, and a 2000 meters trial, using a Concept II rowing ergometer. Mean power values over 20 sec (W20) and 60 sec (W60) were measured and compared with the time to perform the 2000 m trial (t2000). Results: Statistical analysis showed high and significant correlatio…
TASCAを用いたCn, Nh, Fl化学実験のためのHg, Tl, PbのSiO2及びAu表面に対するオンライン化学吸着研究
2018
Online gas-solid adsorption studies with single atom quantities of Hg, Tl, and Pb on SiO$_{2}$ and Au surfaces were carried out using short-lived radioisotopes with half-lives in the range of 4-49 s. This is a model study to measure adsorption enthalpies of superheavy elements Cn, Nh, and Fl. The short-lived isotopes were produced and separated by the gas-filled recoil separator TASCA at GSI. The products were stopped in He gas, and flushed into gas chromatography columns made of Si detectors whose surfaces were covered by SiO$_{2}$ or Au. The short-lived Tl and Pb were successfully measured by the Si detectors with the SiO$_{2}$ surface at room temperature. On the other hand, the Hg did no…
Symmetry and models of single-walled TiO2 nanotubes with rectangular morphology
2011
Abstract The formalism of line symmetry groups for one-periodic (1D) nanostructures with rotohelical symmetry has been applied for symmetry analysis of single-walled titania nanotubes (SW TiO2 NTs) formed by rolling up the stoichiometric two-periodic (2D) slabs of anatase structure. Either six- or twelve-layer (101) slabs have been cut from TiO2 crystal in a stable anatase phase. After structural optimization, the latter keeps the centered rectangular symmetry of initial slab slightly compressed along a direction coincided with large sides of elemental rectangles. We have considered two sets of SW TiO2 NTs with optimized six- and twelve-layer structures, which possess chiralities (−n, n) an…
L'ansia come fattore di rischio: un'indagine preliminare in cardiologia interventistica e cardiochirurgia
2008
Numerose ricerche sottolineano l'importanza dei fattori psicosociali individuali e ambientali, nello sviluppo dei disturbi cardiovascolari. Individuare quali sono i fattori psicologici che influenzano il modo in cui gli individui reagiscono ed affrontano l'esperienza di malattia serve a stabilire le azioni chiave per favorire il processo di guarigione. Rispetto all'estesa letteratura sulla depressione sono ancora poche le ricerche che affrontano il problema dell'ansia e dei suoi effetti sui pazienti cardiovascolari. Nella nostra ricerca vengono riportati i dati relativi a 61 soggetti (42 maschi e 19 femmine) di età media 58 ± 10 anni che devono essere sottoposti ad interventi cardiochirurgi…
I LIVELLI BASALI DI ANSIA NEI PAZIENTI CARDIOPATICI IN ATTESA DI PROCEDURE CARDIOCHIRURGICHE O INTERVENTISTICHE
2008
Al fine di pianificare dei programmi per la salute della popolazione anziana che includano interventi di tipo educativo, psicomotorio e sociali, è importante studiare come alcuni fattori psicologici possano ridurre i livelli di attività quotidiana o aumentare il rischio di sviluppare una malattia. L’attività fisica può ridurre l’ansia ed anche prevenire il rischio di malattie cardiovascolari, per cui in questa ricerca abbiamo rilevato i livelli di ansia in pazienti cardiopatici prima di effettuare una procedura cardiochirurgia o di rivascolarizzazione coronaria percutanea. Abbiamo utilizzato la forma Y dello State-Trait Anxiety Inventory. Da questo test si ottengono due punteggi diversi che…
Theoretical Determination of the pK a Values of Betalamic Acid Related to the Free Radical Scavenger Capacity: Comparison Between Empirical and Quant…
2015
Health benefits of dietary phytochemicals have been suggested in recent years. Among 1000s of different compounds, Betalains, which occur in vegetables of the Cariophyllalae order (cactus pear fruits and red beet), have been considered because of reducing power and potential to affect redox-modulated cellular processes. The antioxidant power of Betalains is strictly due to the dissociation rate of the acid moieties present in all the molecules of this family of phytochemicals. Experimentally, only the pK a values of betanin were determined. Recently, it was evidenced it was evidenced as the acid dissociation, at different environmental pHs, affects on its electron-donating capacity, and fur…
Ocean-scale connectivity and life cycle reconstruction in a deep-sea fish
2014
Author's version of an article in the journal: Canadian Journal of Fisheries and Aquatic Sciences. Also available from the publisher at: http://dx.doi.org/10.1139/cjfas-2013-0343 As human exploration and harvesting moves to the high seas, ecological understanding of the deep sea has become a priority, especially in those commercially exploited species whose life cycle, habitat use, and demographic structure remain poorly understood. Here we combine otolith trace element and stable isotope analyses with microsatellite data to investigate population structure and connectivity in the migratory deep-sea black scabbardfish (Aphanopus carbo), sampled along a latitudinal gradient spanning much of …
On a new proof of Moser's twist mapping theorem
1976
Based on a new idea of the author, a new proof of J. Moser's twist mapping theorem is presented.