3,875 research outputs found

    Modeling Molecules for Field-Coupled Nanocomputing Circuit Design

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    Molecular Field-Coupled Nanocomputing (molFCN) is a highly low-power technology promising for digital electronics. It encodes information in the charge distribution of molecules and propagates it through electrostatic intermolecular interaction. Despite its potential, the molFCN technology suffers the absence of a functional design and simulation methodology. This paper provides a complete explanation of the characterization and modeling of molecules, from the molecular ab initio analysis to the design of molecular circuits and systems. Considering the diallyl-butane, we show how to use the ORCA package to derive, with DFT, the molecule geometry and charge distribution by correctly setting DFT functionals and basis sets. We study the molecule polarization when subjected to electric fields and enable the investigation of the interaction by exploiting the SCERPA tool. We set up the SCERPA simulation engine to simulate molecular circuits such as diallyl-butane wires. Finally, we show how to use literature results to model more complex molecules. We implement the bis-ferrocene cation in SCERPA and use it to create complex clocked logical devices. We simulate, as a means of explanation, a 0.0004 μm2 NAND gate

    Direct Coumarin Synthesis by Gold Catalyzed Hydroarylation of Alkynoic Acids/Esters

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    The combination of a gold(I) catalyst with a small amount of ionic liquid as solvent creates a catalytic system able to efficiently promote the direct synthesis of coumarins from phenols and alkynoic acids/esters, through a reaction sequence involving gold-catalyzed intermolecular direct alkyne hydroarylation followed by intramolecular thermal/acid catalyzed (trans)esterification. The reaction is highly atom economical and works well under mild conditions, relatively short reaction times and < 1% Au, particularly in the case of phenols substituted with electron-donating groups and propiolic acid as substrates. Furthermore, the gold/IL catalytic system proved recoverable and recyclable

    Unprecedented one-pot synthesis of an unsymmetrical cisplatin-based Pt(iv)-acetamidato complex

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    We describe herein a novel Pt(iv)-acetamidato complex as a result of the one-pot reaction between cisplatin and the highly reactive peroxyacetimidic acid generated in situ. This is the first example of a Pt(iv) complex containing a N-donor ligand coordinated during the Pt(ii) → Pt(iv) oxidation step. Remarkably, the Pt(iv)-amidato compound is highly soluble and stable in water; it represents an interesting building block for the further development of Pt(iv) antitumor prodrugs

    Addressing multi-molecule field-coupled nanocomputing for neural networks with SCERPA

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    The molecular field-coupled nanocompunting (molFCN) technology encodes the information in the charge distribution of electrostatically coupled molecules, making it an exciting solution for future beyond-CMOS low-power electronics. Recent literature has shown that multi-molecule molFCN enables the design of devices with tailored unconventional characteristics, such as majority voters working as artificial neurons. This work presents a multi-molecule molFCN neuron model based on the weighted-inputs formulation to estimate molFCN neurons behavior. Then, the introduced model is used to design each neuron of molFCN circuits working as neural networks. In particular, we propose a molFCN neural network operating as an input pattern classifier. The results show the model aptitude in predicting the logic output values for individual neurons and, consequently, entire networks. The model accuracy has been evaluated by comparing the results from the neuron mathematical model with those obtained from the circuit-level simulations conducted with the SCERPA tool. Overall, this study highlights the strategic use of diverse molecules in molFCN layouts, customizing circuit operations, and expanding design possibilities for specific molFCN device functioning

    »It contained harbours that pleased me like sonnets«. Kleine Poetik der diegetischen Karte

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    In this article, Federico Italiano explores the relationship between literature and cartography. Beginning with Stevenson’s Treasure Island, the author frames the topic through a general theoretical lens on the spatial dimension of literary texts. He then focuses on a specific phenomenon of literary "carticity"—the diegetic presence of the map, that is, the map as an integral element of the narrative structure. Among others, Italiano examines the works of Houellebecq and Cormac McCarthy

    Portrait of the Author in (Him/Her)self

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    A fragment of a philosophical essay by Jean-Luc Nancy and Federico Ferrari titled Iconographie dell’auteur (Paris, 2005), published for the first time in Polish, that addresses the problem of a relationship between the image of the author and his/her work

    A new entry to asymmetric platinum(IV) complexes via oxidative chlorination

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    Pt(IV) complexes are usually prepared by oxidation of the corresponding Pt(II) counterparts, typically using hydrogen peroxide or chlorine. A different way to synthesize asymmetrical Pt(IV) compounds is the oxidative chlorination of Pt(II) counterparts with N-chlorosuccinimide. The reaction between cisplatin cis-[PtCl2(NH3)2], carboplatin, cis-[PtCl2(dach)] and cis-[Pt(cbdc)(dach)] (cbdc = cyclobutane-1,1′-dicarboxylato; dach = cyclohexane-1R,2R-diamine) with N-chlorosuccinimide in ethane-1,2-diol was optimized to produce the asymmetric Pt(IV) octahedral complexes [PtA2Cl- (glyc)X2] (A2 = 2 NH3 or dach; glyc = 2-hydroxyethanolato; X2 = 2 Cl or cbdc) in high yield and purity. The X-ray crystal structure of the [Pt(cbdc)Cl(dach)(glyc)] complex is also reported. Moreover, the oxidation method proved to be versatile enough to produce other mixed Pt(IV) derivatives varying the reaction medium. The two trichlorido complexes easily undergo a pH-dependent hydrolysis reaction, whereas the dicarboxylato compounds are stable enough to allow further coupling reactions for drug targeting and delivery via the glyc reactive pendant. Therefore, the coupling reaction between the [Pt(cbdc)Cl(dach)(glyc)] and a model carboxylic acid, a model amine, and selectively protected amino acids is reported
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