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1.
We compare the efficiency of two Faddeev-type approaches for the nuclear three-body Coulomb problem. The first one is a modification
of Noble’s approach, the second one is due to Sasakawa and Sawada. In an integral-equation formulation both of these methods
rely on the same Green’s operators and driving terms. The differences lie in the treatment of the long-range Coulomb potentials.
Numerical examples show that the modified Faddeev-Noble approach provides for faster convergence. 相似文献
2.
Alessandro Marchetti Dr. Andrea Pizzi Dr. Greta Bergamaschi Dr. Nicola Demitri Dr. Ulrike Stollberg Prof. Ulf Diederichsen Dr. Claudia Pigliacelli Prof. Pierangelo Metrangolo 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(14):e202104089
Iodination has long been employed as a successful labelling strategy to gain structural insights into proteins and other biomolecules via several techniques, including Small Angle X-ray Scattering, Inductively Coupled Plasma Mass Spectrometer (ICP-MS), and single-crystal crystallography. However, when dealing with smaller biomolecular systems, interactions driven by iodine may significantly alter their self-assembly behaviour. The engineering of amyloidogenic peptides for the development of ordered nanomaterials has greatly benefitted from this possibility. Still, to date, iodination has exclusively been applied to aromatic residues. In this work, an aliphatic bis-iodinated amino acid was synthesized and included into a custom pentapeptide, which showed enhanced fibrillogenic behaviour. Peptide single crystal X-ray structure and powder X-ray diffraction on its dried water solution demonstrated the key role of iodine atoms in promoting intermolecular interactions that drive the peptide self-assembly into amyloid fibrils. These findings enlarge the library of halogenated moieties available for directing and engineering the self-assembly of amyloidogenic peptides. 相似文献
3.
Luka
orevi Lorenzo Casimiro Nicola Demitri Massimo Baroncini Serena Silvi Francesca Arcudi Alberto Credi Maurizio Prato 《Angewandte Chemie (International ed. in English)》2021,60(1):313-320
Multi‐functionalization and isomer‐purity of fullerenes are crucial tasks for the development of their chemistry in various fields. In both current main approaches—tether‐directed covalent functionalization and supramolecular masks—the control of regioselectivity requires multi‐step synthetic procedures to prepare the desired tether or mask. Herein, we describe light‐responsive tethers, containing an azobenzene photoswitch and two malonate groups, in the double cyclopropanation of [60]fullerene. The formation of the bis‐adducts and their spectroscopic and photochemical properties, as well as the effect of azobenzene photoswitching on the regiochemistry of the bis‐addition, have been studied. The behavior of the tethers depends on the geometry of the connection between the photoactive core and the malonate moieties. One tether lead to a strikingly different adduct distribution for the E and Z isomers, indicating that the covalent bis‐functionalization of C60 can be controlled by light. 相似文献
4.
Dr. Luka Ðorđević Cataldo Valentini Dr. Nicola Demitri Cécile Mézière Magali Allain Prof. Dr. Marc Sallé Dr. Andrea Folli Prof. Dr. Damien Murphy Samuel Mañas-Valero Prof. Dr. Eugenio Coronado Prof. Dr. Davide Bonifazi 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2020,132(10):4135-4143
Herein we report an efficient synthesis to prepare O-doped nanographenes derived from the π-extension of pyrene. The derivatives are highly fluorescent and feature low oxidation potentials. Using electrooxidation, crystals of cationic mixed-valence (MV) complexes were grown in which the organic salts organize into face-to-face π-stacks, a favorable solid-state arrangement for organic electronics. Variable-temperature electron paramagnetic resonance (EPR) measurements and relaxation studies suggest a strong electron delocalization along the longitudinal axis of the columnar π-stacking architectures. Electric measurements of single crystals of the MV salts show a semiconducting behavior with a remarkably high conductivity at room temperature. These findings support the notion that π-extension of heteroatom-doped polycyclic aromatic hydrocarbons is an attractive approach to fabricate nanographenes with a broad spectrum of semiconducting properties and high charge mobilities. 相似文献
5.
W. Plessas 《Few-Body Systems》1987,2(1):N17-N17
6.
We present results from a study of meson ground and resonant states within a relativistic coupled-channel constituent-quark model. Along such an approach in particular the resonance character of hadron excitations can be fully taken into account. Thus it becomes possible to describe the decay of a hadron resonance into a lower lying state more realistically than in usual single-channel approaches. In a simplified model we demonstrate the viability and the advantages of our method by producing relativistic invariant results for the finite decay width of a meson resonance. 相似文献
7.
8.
Enrica Bortolamiol Giacomo Isetta Isabella Caligiuri Dr. Nicola Demitri Prof. Dr. Stefano Paganelli Prof. Dr. Flavio Rizzolio Dr. Thomas Scattolin Prof. Dr. Fabiano Visentin 《欧洲无机化学杂志》2023,26(22):e202300084
A general synthetic entryway into novel cationic Pd(II) indenyl complexes bearing one alkyl/aryl phosphine and one N-heterocyclic carbene is reported. All metal complexes have been exhaustively characterized by spectroscopic and structural analyses, highlighting that the indenyl fragment has an hapticity intermediate between η3 and η5. Most of the target complexes are stable in solid state and in solution for a long time. Two different applications of these organopalladium compounds are proposed. Firstly, they have been tested as antiproliferative agents towards three different ovarian cancer cell lines, showing a cytotoxicity significantly higher than that of cisplatin, with a clear dependence on the nature of the coordinated phosphine. Moreover, the similar cytotoxicity towards cisplatin-sensitive and cisplatin-resistant cell lines suggests that these new palladium derivatives act with a different mechanism of action with respect to classical platinum-based drugs. Finally, the water-soluble palladium complexes bearing 1,3,5-triaza-7-phosphaadamantane (PTA) have demonstrated interesting catalytic performances in Suzuki–Miyaura coupling in aqueous media, being, inter alia, readily and efficiently recyclable. 相似文献
9.
Thomas Scattolin Enrica Bortolamiol Flavio Rizzolio Nicola Demitri Fabiano Visentin 《应用有机金属化学》2020,34(10):e5876
Novel allyl palladium compounds stabilized by carbohydrate-based N-heterocyclic carbenes (NHCs) were prepared and characterized by nuclear magnetic resonance, high-resolution mass spectrometry and elemental analysis. The antiproliferative activity of the compounds was tested on a panel of different tumor lines, especially ovarian cancer and MRC-5 human lung fibroblasts (nontumor cells). These experiments showed that both mixed NHC/PPh3 and NHC/PTA (PTA = 1,3,5-triaza-7-phosphaadamantane) allyl complexes have IC50 (half maximal inhibitory concentration) values comparable and sometimes even significantly lower than cisplatin. Moreover, the mixed NHC/PTA allyl complexes exhibit good activity toward the seven tumor lines tested with a substantial inactivity against normal cells, a necessary condition to avoid the general cytotoxicity of a metallo-drug. Furthermore, this subclass of compounds proved particularly active on the A549 lung cancer tumor line (up to 100-fold more cytotoxic than cisplatin) and exhibited satisfactory cytotoxicity against KURAMOCHI and OVCAR3 cell lines, which are currently considered the best in vitro models for serous ovarian cancer, the most lethal tumor for women worldwide. 相似文献
10.
Davide Balestri Paolo P. Mazzeo Claudia Carraro Nicola Demitri Paolo Pelagatti Alessia Bacchi 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2019,131(48):17503-17511
The crystalline sponge method (CSM) is primarily used for structural determination by single‐crystal X‐ray diffraction of a single analyte encapsulated inside a porous MOF. As the host–guest systems often show severe disorder, reliable crystallographic determination is demanding; thus the dynamics of the guest entering and the formation of nanoconfined molecular aggregates has not been in the spotlight. Now, the concept is investigated of the CSM for monitoring the structural evolution of nanoconfined supramolecular aggregates of eugenol guests with displacement of DMF inside the cavities of the flexible MOF, PUM168. The interpretation of the electron density provides a series of unique detailed snapshots depicting the supramolecular guest aggregation, thus showing the tight interplay between the host flexible skeleton and the molecular guests through the DMF‐to‐eugenol exchange process. 相似文献