Search results for "molecule"

Design of neutral Lewis superacids of group 13 elements.

2011

A general approach toward superstrong neutral Lewis acids, featuring both the pyramidalization of acceptor molecules and the introduction of electron-withdrawing substituents, is proposed and examined theoretically. Complexes of group 13 element derivatives with ammonia at the B3LYP and MP2 levels of theory with def2-TZVPP basis set are considered as examples. Pyramidalization of the acceptor molecule significantly increases its Lewis acidity (by 50-60 kJ mol(-1) for aluminum and gallium compounds and by 120-130 kJ mol(-1) for boron compounds). An additional increase of the complex stability of 55-75 kJ mol(-1) may be achieved by fluorination. The combined increase of the bond dissociation …

Exposure to cadmium chloride influences astrocyte-elevated gene-1 (AEG-1) expression in MDA-MB231 human breast cancer cells

2011

Abstract It is known that cadmium (Cd) is able to regulate gene expression, drastically affecting the pattern of transcriptional activity and intracellular signalization in normal and pathological human cells. We have already shown that Cd exerts a cytotoxic effect on neoplastic MDA-MB231 cells from the human breast, which is characterized by the onset of a “non-classical” apoptotic kind of death, impairment of mitochondrial activity and drastic changes in gene expression pattern. In the present study, employing a combination of conventional and differential display-PCR techniques, immunocytochemical, ELISA and Western analyses, we extended the knowledge on the transcriptional modulation ex…

Breather Molecular Complexes in a Passively Mode‐Locked Fiber Laser

2021

International audience; Breathing solitons are nonlinear waves in which the energy concentrates in a localized and oscillatory fashion. Similarly to stationary solitons, breathers in dissipative systems can form stable bound states displaying molecule-like dynamics, which are frequently called breather molecules. So far, the experimental observation of optical breather molecules and the real-time detection of their dynamics are limited to diatomic molecules, that is, bound states of only two breathers. In this work, the observation of different types of breather complexes in a mode-locked fiber laser: multibreather molecules, and molecular complexes originating from the binding of two breat…

A CuIICoII Metallacyclophane-Based Metamagnet with a Corrugated Brick-Wall Sheet Architecture

2004

Gephyromycin, the first bridged angucyclinone, from Streptomyces griseus strain NTK 14

2005

The new, highly oxygenated angucyclinone gephyromycin was isolated from an extract of a Streptomyces griseus strain. Its unprecedented ether-bridged structure was elucidated by NMR methods and substantiated by single crystal X-ray analysis. The absolute configuration was evidenced by quantum chemical CD calculations. Gephyromycin exhibits glutaminergic activity towards neuronal cells. Furthermore, the known compounds fridamycin E and dehydrorabelomycin were identified.

One-Pot Synthesis and AFM Imaging of a Triangular Aramide Macrocycle

2014

Macrocyclizations in exceptionally good yields were observed during the self-condensation of N-benzylated phenyl p-aminobenzoates in the presence of LiHMDS to yield three-membered cyclic aramides that adopt a triangular shape. An ortho-alkyloxy side chain on the N-benzyl protecting group is necessary for the macrocyclization to occur. Linear polymers are formed exclusively in the absence of this Li-chelating group. A model that explains the lack of formation of other cyclic congeners and the demand for an N-(o-alkoxybenzyl) protecting group is providedon the basis of DFT calculations.High-resolution AFM imaging of the prepared molecular triangles on a calcite(10.4) surface shows individual …

Tailoring the Exchange Interaction in Covalently Linked Basic Carboxylate Clusters through Bridging Ligand Selection

2012

We are reporting new dimeric units of basic carboxylates bearing the {Fe III 2M IIO} motif for M = Co and Ni, covalently bound through the tetradentate bridging (LL) 2,2′-azopyiridine (azpy) and 2,3-di(2-pyridyl)quinoxaline ligands (dpq). We structurally characterized the hexanuclear clusters, and their magnetic properties have been fully analyzed. DFT calculations have been performed as a supplementary tool. All results evidence a weak antiferromagnetic interaction through the bridging ligands between isolated spin ground states arising from intra-Fe 2MO core exchange couplings. Together with the pioneer 2,2′-bipyrimidine bridged systems, the new complexes reported constitute a family of c…

Growth of immobilized DNA by polymerase: bridging nanoelectrodes with individual dsDNA molecules.

2011

We present a method for controlled connection of gold electrodes with dsDNA molecules (locally on a chip) by utilizing polymerase to elongate single-stranded DNA primers attached to the electrodes. Thiol-modified oligonucleotides are directed and immobilized to nanoscale electrodes by means of dielectrophoretic trapping, and extended in a procedure mimicking PCR, finally forming a complete dsDNA molecule bridging the gap between the electrodes. The technique opens up opportunities for building from the bottom-up, for detection and sensing applications, and also for molecular electronics.

Matrix isolation studies and DFT calculations on molecular alkali metal bromates

2009

DFT and MP2 calculations have been carried out on a series of molecular alkali metal bromates MBrO3 (M = Na, K, Rb, Cs), and the results compared with matrix isolation IR studies on the vaporisation of the solid salts. For M = Na, K or Rb, no ternary molecular species were detected in the low temperature matrix, but vaporisation of solid caesium bromate at 730 K resulted in the formation of molecular CsBrO3, which was identified as having a C3v structure involving tridentate coordination. Additionally, the DFT and MP2 calculations provide estimates of the molecular parameters for all four MBrO3 species, and for the related MXO3 species CsClO3 and CsIO3. The proven stability of MBrO3 molecul…

Copper(II) complexes with the N,N,O-tridentate ligand 6-amino-5-formyl-1,3-dimethyluracilato-(N6)-benzoylhydrazone: synthesis, spectral and XRD studi…

1999

Abstract From reactions between different Cu(II) salts and the Schiff base 6-amino-5-formyl-1,3-dimethyluracil-benzoylhydrazone (H2BEZDO) in alcohol, six new copper complexes with simplified formulas [Cu(HBEZDO)(H2O)(MeOH)]NO3 (1), [CuCl(HBEZDO)(DMF)] (2), [CuBr(HBEZDO)]·2H2O (3), CuBr(HBEZDO) (4), Cu(ClO4)(HBEZDO)·H2O (5), and Cu(SO4)1/2(HBEZDO)·1 1 2 H2O (6) were isolated. The structures of compounds 1, 2 and 3 have been established by means of XRD diffraction methods. In the three compounds, the Schiff base acts as a tridentate monodeprotonated ligand through the N(6), N(51) and O(52) atoms, making two five- and six-membered chelate rings. In the structure of 1 and 2, the solvent molecul…