Search results for "METALS"
showing 10 items of 2013 documents
Sweet (hetero)aromatics: glycosylated templates for the construction of saccharide mimetics
2011
Mono- and diglycosylated aromatics and heteroaromatics may serve as building blocks for the construction of metabolically stable mimetics of oligosaccharides. Methods for their preparation from monosaccharidic precursors by direct C-glycosylation, dipolar cycloaddition or Larock cyclization are described.
Interaction of metal ions with N-glycosylamines: isolation and characterization of the products of 4,6-O-benzylidene-N-(o-carboxyphenyl)-β-D-glucopyr…
2001
Metal-ion complexes of Li+, Na+, K+, Mg2+, Ca2+, Ba2+, Pb2+, Cd2+, Hg2+ with 4,6–O–benzylidene–N–(o–carboxyphenyl)–β–D–glucopyranosylamine were synthesized and isolated as solid products and characterized by analytical means as well as by spectral techniques, such as, 1H and 13C NMR, FTIR, absorption, FAB mass spectrometry, optical rotation and CD. While the alkali metal ions formed ML type of complexes, the other metal ions formed ML2 type complexes. Molecular weights of the complexes of Li+, Na+ and K+ were established based on the molecular-ion peaks in the FAB mass spectra. The saccharide portion remians in the β-anomeric form even after the complexation. The spectral data, as well as t…
A topological isomer of the Au25(SR)18−nanocluster
2020
Energetically low-lying structural isomers of the much-studied thiolate-protected gold cluster Au25(SR)18− are discovered from extensive (80 ns) molecular dynamics (MD) simulations using the reactive molecular force field ReaxFF and confirmed by density functional theory (DFT). A particularly interesting isomer is found, which is topologically connected to the known crystal structure by a low-barrier collective rotation of the icosahedral Au13 core. The isomerization takes place without breaking of any Au–S bonds. The predicted isomer is essentially iso-energetic with the known Au25(SR)18− structure, but has a distinctly different optical spectrum. It has a significantly larger collision cr…
Comparison of analytical methods and AI tools for material characterisation in hot forming
2002
Abstract Hot forming processes probably represent the most ancient of forming operations and what is more they are still today commonly used in modern mechanical industry in order to obtain sound parts, achieving large deformations with a limited required power. Hot metal forming operations are characterised by a large number of physical and thermal phenomena which have to be taken into account in order to model and design the processes themselves. Actually several thermally activated phenomena occur during the forming processes such as recovery, recrystallisation, grain growth, precipitation, allotropic transformations, etc. In this paper the comparison between an analytical method based o…
Comparative Experimental and Theoretical Study of the C and O K-Edge X-ray Absorption Spectroscopy in Three Highly Popular, Low Spin Organoiron Compl…
2019
The unoccupied electronic structures of three closed-shell, highly popular organoiron complexes ([Fe(CO)5], [(η5-C5H5)Fe(CO)(μ-CO)]2, and [(η5-C5H5)2Fe]; 0, I, and II, respectively) have been investigated both experimentally and theoretically by combining original gas-phase X-ray absorption spectroscopy (XAS) outcomes recorded at the C and O K-edge with results of scalar relativistic time-dependent density functional calculations carried out within the zeroth order regular approximation. Experimental evidence herein discussed complement the Fe L2,3-edges XAS ones we recently recorded, modeled, and assigned for the same complexes (Carlotto et al. Inorg. Chem. 2019, 58, 5844). The first-princ…
Closer to nature: an ATP-driven bioinspired catalytic oxidation process
2013
The capability of DNA to acquire enzyme-like properties has led to the emergence of the so-called DNAzyme field; herein, we take a further leap along this nature-inspired road, demonstrating that a template assembled synthetic G-quartet (TASQ) can act as a pre-catalyst for catalytic peroxidase-mimicking oxidation reactions, whatever its nature (guanine or guanosine-based G-quartets), in an ATP-dependent manner, thereby bringing this bioinspired TASQzyme process even closer to nature.
An oxidatively damaged G-quadruplex/hemin DNAzyme.
2020
International audience; Oxidative damage of guanine to 8-oxoguanine triggers a partial and variable loss of G-quadruplex/hemin DNAzyme activity and provides clues to the mechanistic origins of DNAzyme deactivation, which originates from an interplay between decreased G-quadruplex stability, lower hemin affinity and a modification of the nature of hemin binding sites.
The effects of anthropogenic particulate emissions on roadway dust and Nerium oleander leaves in Messina (Sicily, Italy)
2003
Complementary studies on the inorganic chemical composition of Nerium oleander leaves collected in the town of Messina (Sicily, Italy) and seven grain-size fractions of local roadway dust have been carried out. Data and maps are presented to show that the particulate matter present in the air of Messina contains trace elements significantly in excess with respect to the average continental earth crust. The anomalies follow the outline of the urban area, the highest concentrations of trace elements being observed where traffic density is highest. Chemical and isotopic analyses of both road dust and Nerium oleander leaves indicate that Pb contamination still characterizes roads with heavy tra…
Biomarkers, matrices and analytical methods targeting human exposure to chemicals selected for a European human biomonitoring initiative
2020
E-mail addresses: kvo@envs.au.dk (K. Vorkamp), Castano@isciii.es (A. Castaño), Jean-Philippe.Antignac@oniris-nantes.fr (J.-P. Antignac), Luis.Boada@ulpgc.es (L.D. Boada), ECequier@quimica.udl.cat (E. Cequier), Adrian.Covaci@uantwerpen.be (A. Covaci), M.Esteban@isciii.es (M. Esteban López), LineSmastuen.Haug@fhi.no (L.S. Haug), Kasper@ipa-dguv.de (M. Kasper-Sonnenberg), Koch@ipa-dguv.de (H.M. Koch), Octavio.Perez@ulpgc.es (O. Pérez Luzardo), Agnese.Osite@lu.lv (A. Osīte), Loic.Rambaud@santepubliquefrance.fr (L. Rambaud), mtpin@ticino.com (M.-T. Pinorini), Gabriele.Sabbioni@bluewin.ch (G. Sabbioni), Cathrine.Thomsen@fhi.no (C. Thomsen).; International audience; The major purpose of human biom…
Azobenzene-based difunctional halogen-bond donor: Towards the engineering of photoresponsive co-crystals
2014
Halogen bonding is emerging as a powerful non-covalent interaction in the context of supramolecular photoresponsive materials design, particularly due to its high directionality. In order to obtain further insight into the solid-state features of halogen-bonded photoactive molecules, three halogen-bonded co-crystals containing an azobenzene-based difunctional halogen-bond donor molecule, (E)-bis(4-iodo-2,3,5,6-tetrafluorophenyl)diazene, C12F8I2N2, have been synthesized and structurally characterized by single-crystal X-ray diffraction. The crystal structure of the non-iodinated homologue (E)-bis(2,3,5,6-tetrafluorophenyl)diazene, C12H2F8N2, is also reported. It is demonstrated that the stud…