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1.
In this Note, we use Connes' theory of spectral triples to provide a connection between Manin's model of the dual graph of the fiber at infinity of an Arakelov surface and the cohomology of the mapping cone of the local monodromy. To cite this article: C. Consani, M. Marcolli, C. R. Acad. Sci. Paris, Ser. I 335 (2002) 779–784. 相似文献
2.
The effects of the organometallic compounds Bu2Sn-D -(?;)sorbitol, Bu2Sn-D -(+)glucose, Bu2Sn-D -(?)fructose and Bu2Sn-D -(+)glyceraldehyde were tested in vivo on different stages of Ascidian development, larval movement and metamorphosis. Organotin(IV) complexes are organometallic compounds widely used as industrial biocides, antifouling agents and agricultural fungicides and are toxic to a range of organisms. Two-cell stage embryos, if incubated for one hour in the organotin (IV) solutions, stopped the cleavage, which was restored when they were transferred into normal sea water. The gastrula stage was seriously affected in 10?4mol dm?3 solutions of the above-mentioned complexes: 85% of the embryos were anomalous neurulae with open neural folds, 5% were twisted larvae. The gastrulae, when incubated for 1 h in 10?5mol dm?3 solutions, developed twisted larvae in ovular envelopes and immobile larvae with twisted tails. Larvae treated with 10?4mol dm?3 and 10?5 mol dm?3 Bu2Sn-D -(?)sorbitol, Bu2Sn-D -(+)glucose and Bu2Sn-D -(+)glyceraldehyde solutions stopped swimming, did not metamorphose and afterwards underwent cytolysis. An initial hyperactivity of circular movements, followed by immobility, was observed in the larvae incubated in Bu2Sn-D -(?;)fructose. 相似文献
3.
Molecular dynamics simulations were carried out in the presence of 2380 water molecules (TIP3P) to explore the conformational preferences of 3,9-dimethoxy-4-prenylpterocarpan (bitucarpin A) and 3,9-dihydroxy-4,8-diprenylpterocarpan (erybraedin C) and the H-bond network around them, using the empirical general AMBER force field (GAFF). Specific angle and torsional parameters have been improved in order to match the geometries of the minimum energy structures obtained from an earlier DFT/ab initio study in vacuo, taking into account a few configurations [Alagona, G.; Ghio, C.; Monti, S. Phys. Chem. Chem. Phys. 2004, 6, 2849-2857]. RESP partial charges were assigned to reproduce the electrostatic potential determined at the HF/6-31G level of theory. The analysis of trajectories allowed the conformations of bitucarpin and erybraedin as well as the distribution of water molecules around them to be elucidated. During one of the simulations only, the scaffold of erybraedin undergoes interconversion from its most stable Ht conformation to the Ot one and vice versa. Radial distribution functions, coordination numbers, and angular distributions put forward the extent of solvent structure and the hydrogen bonding behavior of their various (methoxy, hydroxyl, or ethereal) oxygen atoms. The distribution of solvent molecules in the first and second solvation shells as well as the residence times for the different solute-solvent interacting sites have been considered. 相似文献
4.
Renato Noto Giuseppe Werber Francesco Buccheri Caterina Arnone 《Journal of heterocyclic chemistry》1987,24(5):1457-1459
The dissociation constants (K1) of both acids 4a-c and esters 5a-c and the rate constants of the decarboxylation reaction of acids 4a-c have been measured at various high concentrations of hydrochloric acid (0.5-8.0 M range). The results obtained have enabled us to suggest the probable structure of the zwitterion which undergoes decarboxylation. 相似文献
5.
Roberto Cammi Caterina Ghio Jacopo Tomasi 《International journal of quantum chemistry》1986,29(3):527-539
The interaction of some neutral acids of π type, bearing appropriate unsymmetrical substitutions at the C?C group with some selected bases (H2O, NH3, OH?), is compared with that of the parent compound of a new set of neutral π acids, bearing symmetrical substitutions at the C?C group with the same bases. The analyses of the interaction energy, performed according to two decomposition schemes, with and without the counterpoise corrections, make clear the similarity of symmetrically and unsymmetrically substituted neutral organic acids. 相似文献
6.
The conformational behavior of the title compounds has been investigated by Hartree-Fock, MP2, and DFT computations on the most significant structures related to variations of the backbone dihedral angles, cis/trans isomerism around the peptide bond, and diastereoisomeric puckering of the pyrrolidine ring. In vacuum the reversed gamma turn (gammal), characterized by an intramolecular hydrogen bridge, corresponds to the absolute energy minimum for both puckerings (up and down) of the pyrrolidine ring. An additional energy minimum is found in the helix region, but only for an up puckering of the pyrrolidine ring. When solvent effects are included by means of the polarizable continuum model the conformer observed experimentally in condensed phases becomes the absolute minimum. The down puckering is always favored over its up counterpart, albeit by different amounts (0.4-0.5 kcal/mol for helical structures and about 2 kcal/mol for gammal structures). In helical structures cis arrangements of the peptide bond are only slightly less stable than their trans counterparts. This is no longer true for gammal structures, because the formation of an intramolecular hydrogen bond is possible only for trans peptide bonds. In most cases, proline and hydroxyproline show the same general trends; however, the electronegative 4(R) substituent of hydroxyproline leads to a strong preference for up puckerings irrespective of the backbone conformation. 相似文献
7.
Caterina Sartori 《manuscripta mathematica》1982,38(2):225-238
We present an asymptotic analysis for the solution of period 4 of
, where f is an odd function and a positive parameter.This work was supported by a C.N.R. fellowship during the period in which the author was visiting Rutgers University. 相似文献
8.
Caterina Viglianisi Stefano Menichetti Giulio Assanelli Maria Carmela Sacchi Incoronata Tritto Simona Losio 《Journal of polymer science. Part A, Polymer chemistry》2012,50(22):4647-4655
A new family of ethylene‐based copolymers with controlled amounts of a norbornene comonomer (NArOH) bearing a stabilizing antioxidant functionality (2,6‐di‐tert‐butyl phenol) was prepared. Due to unavoidable exo/endo equilibrium operative in NArOH comonomer, a complete and detailed NMR assignment of the structure of the prepared ethylene/NArOH copolymers was carried out for the determination of the exo/endo ratio inside the polymer. These novel functionalized comonomers can be considered suitable starting material for preparing ethylene‐based copolymers, with tunable comonomer content, as non‐releasing macromolecular antioxidant additives for specific application in safe food and/or drug packaging © 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2012 相似文献
9.
Giuseppe Leone Antonella Caterina Boccia Giovanni Ricci Antonino Giarrusso Lido Porri 《Journal of polymer science. Part A, Polymer chemistry》2013,51(15):3227-3232
(E)‐1,3‐Pentadiene (EP) and (E)‐2‐methyl‐1,3‐pentadiene (2MP) were polymerized to cis‐1,4 polymers with homogeneous and heterogeneous neodymium catalysts to examine the influence of the physical state of the catalyst on the polymerization stereoselectivity. Data on the polymerization of (E)‐1,3‐hexadiene (EH) are also reported. EP and EH gave cis‐1,4 isotactic polymers both with the homogeneous and with the heterogeneous system, whereas 2MP gave an isotactic cis‐1,4 polymer with the heterogeneous catalyst and a syndiotactic cis‐1,4 polymer, never reported earlier, with the homogeneous one. For comparison, the results obtained with the soluble CpTiCl3‐based catalyst (Cp = cyclopentadienyl), which gives cis‐1,4 isotactic poly(2MP), are examined. A tentative interpretation is given for the mechanism of the formation of the stereoregular polymers obtained and a complete NMR characterization of the cis‐1,4‐syndiotactic poly(2MP) is reported. © 2013 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2013, 51, 3227–3232 相似文献
10.
Caterina Costa Carmela Cavalcante Francesca Zito Yukio Yokota Valeria Matranga 《Molecular diversity》2010,14(4):653-665
The extracellular matrix protein Pl-nectin, a 210-kDa homodimer originally purified from sea urchin eggs, plays a crucial role in cell adhesion and embryonic
morphogenesis. The compiled cDNA sequence, obtained by RT-PCR primer walking and 3′ RACE, identified a 984aa product containing
a 23aa signal peptide and including all six internal peptides identified by protein microsequencing. The protein is a new
member of the galactose-binding protein superfamily as it consists of six 151–156aa-long tandemly repeated domains (D1–D6),
homologous to the discoidin-like domains, also known as F5/8-type C domains. Based on homology modelling, we present a three-dimensional
structure (3D) for D5, identified as the prototype domain. The molecular modelling of the assembled Pl-nectin homodimer accounts for a Pl-nectin quaternary structure composed of two 105-kDa C-shaped monomers linked by a S–S bridge. The presence of an LDT motif
between the first and the second exposed loops of the D2 domain suggests the binding of Pl-nectin to an integrin receptor. Altogether, the in silico analysis described here is consistent with previous biochemical
reports and offers a basis for predictions to be experimentally tested. 相似文献