Search results for "bonding"
showing 10 items of 996 documents
Interaction of the Dioxouranium(VI) Ion with Aspartate and Glutamate in NaCl(aq) at Different Ionic Strengths
2005
The formation of complexes species of the dioxouranium(VI) ion with aspartic and glutamic acids was studied in the pH range of 3 to 6 at 25 °C by potentiometric measurements (H+−glass electrode). R...
Molecular recognition of naphthalene diimide ligands by telomeric quadruplex-DNA: the importance of the protonation state and mediated hydrogen bonds.
2016
In depth Monte Carlo conformational scans in combination with molecular dynamics (MD) simulations and electronic structure calculations were applied in order to study the molecular recognition process between tetrasubstituted naphthalene diimide (ND) guests and G-quadruplex (G4) DNA receptors. ND guests are a promising class of telomere stabilizers due to which they are used in novel anticancer therapeutics. Though several ND guests have been studied experimentally in the past, the protonation state under physiological conditions is still unclear. Based on chemical intuition, in the case of N-methyl-piperazine substitution, different protonation states are possible and might play a crucial …
Straightforward Regio- and Diastereoselective Synthesis, Molecular Structure, Intermolecular Interactions and Mechanistic Study of Spirooxindole-Engr…
2021
Straightforward regio- and diastereoselective synthesis of bi-spirooxindole-engrafted rhodanine analogs 5a–d were achieved by one-pot multicomponent [3 + 2] cycloaddition (32CA) reaction of stabilized azomethine ylide (AYs 3a–d) generated in situ by condensation of L-thioproline and 6-chloro-isatin with (E)-2-(5-(4-chlorobenzylidene)-2,4-dioxothiazolidin-3-yl)-N-(2-morpholinoethyl)acetamide. The bi-spirooxindole-engrafted rhodanine analogs were constructed with excellent diastereo- and regioselectivity along with high chemical yield. X-ray crystallographic investigations for hybrid 5a revealed the presence of four contiguous stereocenters related to C11, C12, C19 and C22 of the spiro struct…
Self-Assembly of Zr(C2O4)44– Metallotectons and Bisimidazolium Cations: Influence of the Dication on H-Bonded Framework Dimensionality and Material P…
2011
Assemblies involving [Zr(C2O4)4]4– metallotectons (C2O42– = oxalate) and linear, flexible, or V-shaped organic cations (H2-Lx)2+ derived from the 1,4-bisimidazol-1-ylbenzene molecule have been envisioned to elaborate porous frameworks based on ionic H-bonds. Five architectures of formula [{(H2-L1)2Zr(C2O4)4}·2H2O] (1), [{(H2-L2)2Zr(C2O4)4}·6H2O] (2), [{(H2-L3)2Zr(C2O4)4}·6H2O] (3), [{(H2-L4)2Zr(C2O4)4}·H2O] (4), and [{(H2-L5)2Zr(C2O4)4}·6H2O] (5) (with L1 = p-bis(imidazol-1-yl)benzene, L2 = p-bis(2-methylimidazol-1-yl)benzene, L3 = p-bis(imidazol-1-yl)-2,5-dimethylbenzene, L4 = p-bis(imidazol-1-ylmethyl)benzene, L5 = m-bis(imidazol-1-yl)benzene) have been obtained; 1–3, and 5 show an open-f…
Coordination properties of imino(2-pyridyl)methylpalladium(II) compounds. Reactions with the chloride-bridged allyl dimers [MCl(η3-2-MeC3H4)]2 (MPd,…
1990
Abstract The imino(2-pyridyl)methylpalladium(II) compounds py-2-CR 1 NR [R 1 = trans -PdCl(PPh 3 ) 2 , R = C 6 H 4 OMe- p ( Ia ), Me ( Ib ), CMe 3 ( Ic ); R 1 = Pd(dmtc)(PPh 3 ), R = C 6 H 4 OMe- p ( Id )] react with [MCl(η 3 - 2-MeC 3 H 4 )] 2 (M = Pd, Pt) in a molar ratio 1/0.5 and in the presence of NaClO 4 to yield the binuclear cationic complexes II , [M(η 3 -2-MeC 3 H 4 )(py-2-CR 1 NR)]ClO 4 , where the α-diimino group acts as σ,σ N , N ′ chelating ligand. In the absence of NaClO 4 and with a molar ratio 1/1, the reaction leads initially to formation of a ionic intermediate A , [M(η 3 - 2-MeC 3 H 4 )(py-2-CR 1 NR)] [MCl 2 (η 3 -2-MeC 3 H 4 )], which subsequently undergoes exchange …
New complex polycyclic compounds: Synthesis, antiproliferative activity and mechanism of action
2020
Abstract Polycyclic or O-glycoconiugate polycyclic compounds 1a-g were previously tested for their in vitro antiproliferative activity. In this series of compounds, activity increases as log P decreases. Specifically, compounds 1d and 1g showed lower log P values together with the best antiproliferative profiles. With the aim of extending our understanding of the structure–activity relationship (SAR) of this class of compounds, we prepared new polycyclic derivatives 2a-c, which bear on each of the two phenyl rings hydrophilic substituents (OH, SO2NH2 or NHCOCH3). These substituents are able to form hydrogen bonds and to decrease the partition coefficient value as compared with compound 1d. …
Structural and magnetic characterization of the tridimensional network [Fe(HCO2)3]n·nHCO2H
2013
In this work we report the structural and magnetic characterization of a new three-dimensional porous metal–organic framework (MOF) based on iron(III) and the formate anion, [Fe(HCO2)3]n·nHCO2H (1), which was obtained by solvothermal synthesis. The tridimensional structure crystallizes in the trigonal space group Rc and is formed by highly regular octahedral Fe(OHCO)6 units. These units contain six equal Fe–O distances, with angles slightly different from 90° or 180°. The packing of 1 corresponds to a 3D covalent network defined by face sharing between the parallelepipeds, which are formed by the interactions of Fe(OHCO)6 units through formate ligands, thus generating a 41263 topology. This…
Straightforward Synthesis of Donor‐Stabilised Phosphenium Adducts from Imidazolium‐2‐carboxylate and Their Electronic Properties (Eur. J. Inorg. Chem…
2007
The cover picture shows one of donor-stabilized phosphenium compounds which have been obtained by direct addition of chlorophosphanes to the 1,3-dimethylimidazolium-2-carboxylate without any further purification step. Their stronger κ-acceptor character similar to phosphites and their ionic nature render these ligands very promising in the development of new continuous-flow catalytic processes. Details of phosphorylation mechanisms of imidazolium-2-carboxylate as well as the electronic and steric properties of these adducts are discussed in the article by J. Andrieu et al. on p. 4877 ff.
Diffusion of ionic and non-ionic contrast agents in articular cartilage with increased cross-linking--contribution of steric and electrostatic effect…
2013
Abstract Objective To investigate the effect of threose-induced collagen cross-linking on diffusion of ionic and non-ionic contrast agents in articular cartilage. Design Osteochondral plugs (O=6mm) were prepared from bovine patellae and divided into two groups according to the contrast agent to be used in contrast enhanced computed tomography (CECT) imaging: (I) anionic ioxaglate and (II) non-ionic iodixanol. The groups I and II contained 7 and 6 sample pairs, respectively. One of the paired samples served as a reference while the other was treated with threose to induce collagen cross-linking. The equilibrium partitioning of the contrast agents was imaged after 24h of immersion. Fixed char…
Unveiling the Ionic Diels-Alder Reactions within the Molecular Electron Density Theory
2021
The ionic Diels–Alder (I-DA) reactions of a series of six iminium cations with cyclopentadiene have been studied within the Molecular Electron Density Theory (MEDT). The superelectrophilic character of iminium cations, ω >