Search results for "Crystal"
showing 10 items of 22886 documents
Properties of a triazolopyridine system as a molecular chemosensor for metal ions, anions, and amino acids.
2006
The characteristics as a chemosensor of the compound 3-methyl-6,8-di(2-pyridyl)-[1,2,3]triazolo[5',1':6,1]pyrido[2,3-]pyrimidine (1) have been analyzed. Interaction with Cu(2+) produces a quenching of the fluorescence, while interaction with Zn(2+) leads to a quenching of the fluorescence followed by a bathochromic shift. The crystal structure of the Zn(1)(H(2)O)(3)(ClO(4))(2) x H(2)O complex shows the coordination of Zn(2+) through the terpyridine moiety. The octahedral site is completed by three water molecules. Interactions of the Zn(2+) complex with the anions sulfate, nitrate, nitrite, and dihydrogenphosphate in ethanol produce hypsochromic shifts and restoration of the fluorescence wh…
Open-chain polyamine ligands bearing an anthracene unit - Chemosensors for logic operations at the molecular level
2001
In this work the absorption and the fluorescence emission properties as well as the protonation sequence of three open chain polyamine ligands of different dimensions bearing an anthracene unit were studied. The protonation and stability constants with Ni2+, Cu2+, Zn2+, and Cd2+ have been determined in 0.15 mol·dm−3 NaCl at 298.1 ± 0.1 K. The values of both protonation and stability constants follow the expected trends according to the number of nitrogen donors, sequence of chelate rings and hydrophilic−hydrophobic balance. Chelation enhancement of the fluorescence emission (CHEF) was observed for some complexes of these ligands with Zn2+ and Cd2+. In contrast the analog complexes containin…
Monoamide Derivatives of EDTA Incorporating Pendent Carboxylates or Pyridyls: Synthesis, Metal Binding, and Crystal Structure of a Dinuclear Ca2+ Com…
2017
EDTA is a powerful, cheap and widely-used chelating unit for a large range of metal ions. To link it covalently to other molecules, the formation of an amide bond using one of the carboxylates is an attractive and simple approach, even though it may compromise metal ion binding as one of the four carboxylate donors is lost. Here we undertake a quantitative study of the metal ion binding of two new mono-amide derivatives of EDTA, namely AmGly1 and AmPy1, featuring an additional coordinating carboxylate or pyridyl group in the amide, respectively. The compounds are conveniently synthesised through alkylation of the tris-t-butyl ester of ethylenediamine-triacetic acid with the appropriate α-ch…
Dynamic Refolding of Ion-Pair Catalysts in Response to Different Anions.
2019
Four distinct folding patterns were identified in two foldamer-type urea-thiourea catalysts bearing a basic dimethylamino unit by a combination of X-ray crystallography, solution NMR studies, and computational studies (DFT). These patterns are characterized by different intramolecular hydrogen bonding schemes that arise largely from different thiourea conformers. The free base forms of the catalysts are characterized by folds where the intramolecular hydrogen bonds between the urea and the thiourea units remain intact. In contrast, the catalytically relevant salt forms of the catalyst, where the catalyst forms an ion pair with the substrate or substrate analogues, appear in two entirely dif…
Metal ions modulate thermal aggregation of betalactoglobulin: a join chemical and physical characterization
2014
Abstract Molecular basis of the role played by Cu 2 + and Zn 2 + ions during the thermal aggregation processes of beta-lactoglobulin (BLG) was studied by using a joint application of different techniques. In particular, Raman spectroscopy was very useful in identifying the different effects caused by the two metals at molecular level (i.e. changes in His protonation state, disulfides bridge conformation, and micro-environment of aromatic residues), evidencing the primary importance of the protein charge distribution during the aggregation process. Both metal ions are able to act on this factor and favor the protein aggregation, but Zn 2 + is able to alter the natural conformational state of…
Fe and Zn co-substituted beta-tricalcium phosphate (β-TCP): Synthesis, structural, magnetic, mechanical and biological properties
2020
This work was supported by the European Social Fund under the No. 09.3.3- LMT-K-712 “Development of Competences of Scientists, other Researchers and Students through Practical Research Activities” measure. AK would like to express sincere gratitude for Fellowship administrated by The Japan Society for the Promotion of Science (JSPS). Fellow’s ID No.: L12546. Authors are grateful to R. Vargalis (Vilnius University) for taking SEM images. © 2020. This work is licensed under a CC BY-NC-ND license.
Halogen bonding and host-guest chemistry between
2019
Single crystal X-ray structures of halogen-bonded assemblies formed between host N-hexylammonium resorcinarene bromide (1) or N-cyclohexylammonium resorcinarene chloride (2), and 1,4-diiodooctafluorobutane and accompanying small solvent guests (methanol, acetonitrile and water) are presented. The guests’ inclusion affects the geometry of the cavity of the receptors 1 and 2, while the divalent halogen bond donor 1,4-diiodooctafluorobutane determines the overall nature of the halogen bond assembly. The crystal lattice of 1 contains two structurally different dimeric assemblies A and B, formally resulting in the mixture of a capsular dimer and a dimeric pseudo-capsule. 1H and 19F NMR analyses …
Crystal structure of a CsF-uranyl-salen complex. An unusual cesium-chlorine coordination.
2006
Complexation of CsF with the ditopic uranyl-salen receptor results in a solid-state structure, in which the coordination sphere of cesium is filled by ligation to one of the chlorine atoms of the solvent chloroform. This X-ray structure is the first example of chloroform ligation to an alkali-metal ion.
Chiral cyclohexane based fluorescent chemosensors for enantiomeric discrimination of aspartate
2008
Some new chiral cyclohexyl based fluorescent anion receptors have been synthesized and their absolute configuration has been determined by using circular dichroism (CD). Complexation experiments have been carried out with several dicarboxylates, and stoichiometries and complexation constants for the corresponding complexes have been determined. The chiral discrimination ability of these ligands for chiral dicarboxylates has been studied and the best results have been obtained with TMA aspartate.
A neutron diffraction study of the glass transition in (KBr)0.47(KCN)0.53
1985
Abstract The molecular crystal (KBr) 0.47 (KCN) 0.53 has been investigated by elastic neutron diffraction at the transition from the paraelastic to the orientational glass state. The freezing temperature is characterized by the onset of a momentum transfer dependent broadening of the diffraction lines indicating the transition from a crystalline to an amorphous state.