Search results for "3-d"
showing 10 items of 1132 documents
CCDC 1834563: Experimental Crystal Structure Determination
2018
Related Article: Serhii Krykun, Vincent Croué, Magali Allain, Zoia Voitenko, Juan Aragó, Enrique Ortí, Sébastien Goeb, Marc Sallé|2018|J.Mater.Chem.C|6|13190|doi:10.1039/C8TC04730H
CCDC 1426936: Experimental Crystal Structure Determination
2016
Related Article: Gustavo Portalone, Jani O. Moilanen, Heikki M. Tuononen, Kari Rissanen|2016|Cryst.Growth Des.|16|2631|doi:10.1021/acs.cgd.5b01727
CCDC 1426933: Experimental Crystal Structure Determination
2016
Related Article: Gustavo Portalone, Jani O. Moilanen, Heikki M. Tuononen, Kari Rissanen|2016|Cryst.Growth Des.|16|2631|doi:10.1021/acs.cgd.5b01727
CCDC 1426935: Experimental Crystal Structure Determination
2016
Related Article: Gustavo Portalone, Jani O. Moilanen, Heikki M. Tuononen, Kari Rissanen|2016|Cryst.Growth Des.|16|2631|doi:10.1021/acs.cgd.5b01727
CCDC 1484545: Experimental Crystal Structure Determination
2016
Related Article: Ugur Kaya, Suruchi Mahajan, Jan-Hendrik Schöbel, Arto Valkonen, Kari Rissanen and Dieter Enders|2016|Synthesis|48|4091|doi:10.1055/s-0035-1562473
CCDC 1402129: Experimental Crystal Structure Determination
2016
Related Article: Carla Queirós, Andreia Leite, Maria G. M. Couto, mLuís Cunha-Silva, Giampaolo Barone, Baltazar de Castro, Maria Rangel, André M. N. Silva, Ana M. G. Silva|2015|Chem.-Eur.J.|21|15692|doi:10.1002/chem.201502093
[1,2,3]Triazolo[1,5-a]piridinas y compuestos relacionados : aplicaciones en química supramolecular : actividad biológica
2013
Los heterociclos nitrogenados son moléculas clave dentro de numerosos campos científicos. En concreto, los triazoles han encontrado numerosas aplicaciones en química médica como antifúngicos (fluconazol, posaconazol), antidepresivos (trazodona) o anticancerígenos (triazoloacridonas). En este contexto se decidió sintetizar nuevos derivados de [1,2,3]triazolo[1,5-a]piridinas con el fin de explorar su capacidad de interaccionar con ADN y su actividad leishmanicida y antichagásica. Con este objetivo se ha utilizado la química clásica de las triazolopiridinas (reacción de litiación regioselectiva de este heterociclo, seguida de adición de un electrófilo), para obtener nuevos derivados con estruc…
Monte Carlo simulations of the solid-liquid transition in hard spheres and colloid-polymer mixtures
2010
Monte Carlo simulations at constant pressure are performed to study coexistence and interfacial properties of the liquid-solid transition in hard spheres and in colloid-polymer mixtures. The latter system is described as a one-component Asakura-Oosawa (AO) model where the polymer's degrees of freedom are incorporated via an attractive part in the effective potential for the colloid-colloid interactions. For the considered AO model, the polymer reservoir packing fraction is eta_p^r=0.1 and the colloid-polymer size ratio is q=sigma_p/\sigma=0.15 (with sigma_p and sigma the diameter of polymers and colloids, respectively). Inhomogeneous solid-liquid systems are prepared by placing the solid fc…
A classification study of kinematic gait trajectories in hip osteoarthritis
2014
The clinical evaluation of patients in hip osteoarthritis is often done using patient questionnaires. While this provides important information it is also necessary to continue developing objective measures. In this work we further investigate the studies concerning the use of 3D gait analysis to attain this goal. The gait analysis was associated with machine learning methods in order to provide a direct measure of patient control gait discrimination. The applied machine learning method was the support vector machine (SVM). Applying the SVM on all the measured kinematic trajectories, we were able to classify individual patient and control gait cycles with a mean success rate of 88%. With th…
Synthesis, characterization and X-ray structure of glycosyl-1,2-isoxazoles and glycosyl-1,2-isoxazolines prepared via 1,3-dipolar cycloaddition
2013
Abstract A convenient preparative method of a series of glycosyl-1,2-isoxazoles ( 6–11 ) and glycosyl-1,2-isoxazolines ( 15–20 ) by a simple and efficient 1,3-dipolar cycloaddition of a series of aryl nitrile oxide, generated in situ from aryl oximes ( 4–5 ), with a variety of O -propargyl glycosyles ( 1 – 3 ) or O -allyl glycosyles ( 12–14 ) respectively, is reported. The carbohydrate-containing 1,2-isoxazoles and 1,2-isoxazolines compounds were isolated in excellent yields (81–91%) and they were fully characterized by 1 H, 13 C NMR and mass spectrometry. The relative stereochemistry of the glycosyl-1,2-isoxazole 10 was confirmed by single crystal X-ray analysis. The molecular structure of…