Characterization of hydration water in supercooled water-trehalose solutions: The role of the hydrogen bonds network

2019 ◽  
Vol 151 (4) ◽  
pp. 044507 ◽  
Author(s):  
A. Iorio ◽  
G. Camisasca ◽  
M. Rovere ◽  
P. Gallo
2018 ◽  
Vol 116 (1) ◽  
pp. 46-51 ◽  
Author(s):  
Mathilde Rigoulet ◽  
Stéphane Massou ◽  
E. Daiann Sosa Carrizo ◽  
Sonia Mallet-Ladeira ◽  
Abderrahmane Amgoune ◽  
...  

The ability of gold to act as proton acceptor and participate in hydrogen bonding remains an open question. Here, we report the synthesis and characterization of cationic gold(I) complexes featuring ditopic phosphine-ammonium (P,NH+) ligands. In addition to the presence of short Au∙∙∙H contacts in the solid state, the presence of Au∙∙∙H–N hydrogen bonds was inferred by NMR and IR spectroscopies. The bonding situation was extensively analyzed computationally. All features were consistent with the presence of three-center four-electron attractive interactions combining electrostatic and orbital components. The role of relativistic effects was examined, and the analysis is extended to other recently described gold(I) complexes.


2017 ◽  
Vol 73 (10) ◽  
pp. 810-813 ◽  
Author(s):  
Christian Jandl ◽  
Alexander Pöthig

The crystal structure of hydroxytropylium chloride, C7H6OH+·Cl−, the hydrochloride salt of tropone, is described, which represents the first crystallographic characterization of an unfunctionalized hydroxytropylium ion. Crystals were obtained serendipitously from a sample of chlorotropylium chloride after partial hydrolysis. This highlights the role of hydroxytropylium ions as an intermediate in the hydrolytic decomposition of halotropylium halides to tropone. The solid-state structure consists of layers, in which the hydroxytropylium and chloride ions interact via both strong hydrogen bonds formed by the hydroxy protons and weaker hydrogen bonds formed by the tropylium protons to produce a two-dimensional network.


2019 ◽  
Vol 75 (12) ◽  
pp. 1635-1643
Author(s):  
Augusto Rivera ◽  
Jicli José Rojas ◽  
John Sadat-Bernal ◽  
Jaime Ríos-Motta ◽  
Michael Bolte

The structures of the cocrystalline adducts of 3-nitrophenol (3-NP) with 1,3,5,7-tetraazatricyclo[3.3.1.13,7]decane [HMTA, (1)] as the 2:1:1 hydrate, 2C6H5NO3·C6H12N4·H2O, (1a), with 1,3,6,8-tetraazatricyclo[4.3.1.13,8]undecane [TATU (2)] as the 2:1 cocrystal, 2C6H5NO3·C7H14N4, (2a), and with 1,3,6,8-tetraazatricyclo[4.4.1.13,8]dodecane [TATD, (3)] as the 2:1 cocrystal, 2C6H5NO3·C8H16N4, (3a), are reported. In the binary crystals (2a) and (3a), the 3-nitrophenol molecules are linked via O—H...N hydrogen bonds into aminal cage azaadamantanes. In (1a), the structure is stabilized by O—H...N and O—H...O hydrogen bonds, and generates ternary cocrystals. There are C—H...O hydrogen bonds present in all three cocrystals, and in (1a), there are also C—H...O and C—H...π interactions present. The presence of an ethylene bridge in the structures of (2) and (3) defines the formation of a hydrogen-bonded motif in the supramolecular architectures of (2a) and (3a). The differences in the C—N bond lengths of the aminal cage structures, as a result of hyperconjugative interactions and electron delocalization, were analysed. These three cocrystals were obtained by the solvent-free assisted grinding method. Crystals suitable for single-crystal X-ray diffraction were grown by slow evaporation from a mixture of hexanes.


Author(s):  
L. T. Germinario

Understanding the role of metal cluster composition in determining catalytic selectivity and activity is of major interest in heterogeneous catalysis. The electron microscope is well established as a powerful tool for ultrastructural and compositional characterization of support and catalyst. Because the spatial resolution of x-ray microanalysis is defined by the smallest beam diameter into which the required number of electrons can be focused, the dedicated STEM with FEG is the instrument of choice. The main sources of errors in energy dispersive x-ray analysis (EDS) are: (1) beam-induced changes in specimen composition, (2) specimen drift, (3) instrumental factors which produce background radiation, and (4) basic statistical limitations which result in the detection of a finite number of x-ray photons. Digital beam techniques have been described for supported single-element metal clusters with spatial resolutions of about 10 nm. However, the detection of spurious characteristic x-rays away from catalyst particles produced images requiring several image processing steps.


Author(s):  
Natalia Carolina Petrillo

ResumenEn el presente trabajo se intentará mostrar que la fenomenología no conduce a una postura solipsista. Para ello, se caracterizará en qué consiste el solipsismo. Luego, se intentará refutar a lo que se ha de llamar “solipsismo metafísico” y “solipsismo gnoseológico”, con el objetivo principal de poner de manifiesto el fundamento de motivación para la salida de la ficción solipsista.Palabras claves:Phenomenology – solipsim – empatía - HusserlAbstractWith the aim of showing that phenomenology does not lead in solipsism, I will first attempt a characterization of it. Then, I will attempt a refutation of the so-called “metaphysical” and “epistemological” solipsisms. Finally, the nature and role of Husserl´s solipsistic fiction is examined, and the grounds that motivate the overcoming of this standpoint are disclosed.key wordsFenomenología – solipsismo - empathy – Husserl


2020 ◽  
Vol 11 (1) ◽  
pp. 144-148
Author(s):  
Liuba Zlatkova ◽  

The report describes the steps for creating a musical tale by children in the art studios of „Art Workshop“, Shumen. These studios are led by students volunteers related to the arts from pedagogical department of Shumen University, and are realized in time for optional activities in the school where the child studies. The stages of creating a complete product with the help of different arts are traced – from the birth of the idea; the creation of a fairy tale plot by the children; the characterization of the fairy-tale characters; dressing them in movement, song and speech; creating sets and costumes and creating a finished product to present on stage. The role of parents as a link and a necessary helper for children and leaders is also considered, as well as the positive psychological effects that this cooperation creates.


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