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  1. Article: Optothermal properties of plasmonic inorganic nanoparticles for photoacoustic applications.

    Gellini, Cristina / Feis, Alessandro

    Photoacoustics

    2021  Volume 23, Page(s) 100281

    Abstract: Plasmonic systems are becoming a favourable alternative to dye molecules in the generation of photoacoustic signals for spectroscopy and imaging. In particular, inorganic nanoparticles are appealing because of their versatility. In fact, as the shape, ... ...

    Abstract Plasmonic systems are becoming a favourable alternative to dye molecules in the generation of photoacoustic signals for spectroscopy and imaging. In particular, inorganic nanoparticles are appealing because of their versatility. In fact, as the shape, size and chemical composition of nanoparticles are directly correlated with their plasmonic properties, the excitation wavelength can be tuned to their plasmon resonance by adjusting such traits. This feature enables an extensive spectral range to be covered. In addition, surface chemical modifications can be performed to provide the nanoparticles with designed functionalities, e.g., selective affinity for specific macromolecules. The efficiency of the conversion of absorbed photon energy into heat, which is the physical basis of the photoacoustic signal, can be accurately determined by photoacoustic methods. This review contrasts studies that evaluate photoconversion in various kinds of nanomaterials by different methods, with the objective of facilitating the researchers' choice of suitable plasmonic nanoparticles for photoacoustic applications.
    Language English
    Publishing date 2021-06-14
    Publishing country Germany
    Document type Journal Article ; Review
    ZDB-ID 2716706-9
    ISSN 2213-5979
    ISSN 2213-5979
    DOI 10.1016/j.pacs.2021.100281
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article: Adsorption Geometry of Alizarin on Silver Nanoparticles: A Computational and Spectroscopic Study.

    Gellini, Cristina / Macchiagodena, Marina / Pagliai, Marco

    Nanomaterials (Basel, Switzerland)

    2021  Volume 11, Issue 4

    Abstract: The knowledge of the adsorption geometry of an analyte on a metal substrate employed in surface enhanced Raman scattering (SERS) spectroscopy is important information for the correct interpretation of experimental data. The adsorption geometry of ... ...

    Abstract The knowledge of the adsorption geometry of an analyte on a metal substrate employed in surface enhanced Raman scattering (SERS) spectroscopy is important information for the correct interpretation of experimental data. The adsorption geometry of alizarin on silver nanoparticles was studied through ab initio calculations in the framework of density functional theory (DFT) by modeling alizarin taking into account all the different charged species present in solution as a function of pH. The calculations allowed a faithful reproduction of the measured SERS spectra and to elucidate the adsorption geometry of this dye on the silver substrate.
    Language English
    Publishing date 2021-03-27
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2662255-5
    ISSN 2079-4991
    ISSN 2079-4991
    DOI 10.3390/nano11040860
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article: Infinite supramolecular pseudo-polyrotaxane with poly[3]catenane axle: assembling nanosized rings from mono- and diatomic I⁻ and I₂ tectons

    Savastano, Matteo / Bazzicalupi, Carla / Gellini, Cristina / Bianchi, Antonio

    Chemical communications. 2020 Jan. 7, v. 56, no. 4

    2020  

    Abstract: Mono- and diatomic I⁻ and I₂ building blocks, despite their simplicity, can be used to generate complex hierarchical self-assembled architectures. Herein, the construction of a modular supramolecular poly[3]catenane and its conversion into the axle of an ...

    Abstract Mono- and diatomic I⁻ and I₂ building blocks, despite their simplicity, can be used to generate complex hierarchical self-assembled architectures. Herein, the construction of a modular supramolecular poly[3]catenane and its conversion into the axle of an infinite supramolecular pseudo-polyrotaxane were achieved in a seamless process from the starting materials. The unique structural features, directionality, and iodine density of the obtained crystals demonstrate the benefits of a supramolecular design for polyiodide networks intended as solid-state conductors.
    Keywords catenanes ; chemical reactions ; crystals ; iodides ; iodine ; nanomaterials
    Language English
    Dates of publication 2020-0107
    Size p. 551-554.
    Publishing place The Royal Society of Chemistry
    Document type Article
    ZDB-ID 1472881-3
    ISSN 1364-548X ; 1359-7345 ; 0009-241X
    ISSN (online) 1364-548X
    ISSN 1359-7345 ; 0009-241X
    DOI 10.1039/c9cc08367g
    Database NAL-Catalogue (AGRICOLA)

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  4. Article ; Online: Infinite supramolecular pseudo-polyrotaxane with poly[3]catenane axle: assembling nanosized rings from mono- and diatomic I

    Savastano, Matteo / Bazzicalupi, Carla / Gellini, Cristina / Bianchi, Antonio

    Chemical communications (Cambridge, England)

    2019  Volume 56, Issue 4, Page(s) 551–554

    Abstract: Mono- and diatomic ... ...

    Abstract Mono- and diatomic I
    Language English
    Publishing date 2019-12-12
    Publishing country England
    Document type Journal Article
    ZDB-ID 1472881-3
    ISSN 1364-548X ; 1359-7345 ; 0009-241X
    ISSN (online) 1364-548X
    ISSN 1359-7345 ; 0009-241X
    DOI 10.1039/c9cc08367g
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  5. Article: SERS active Ag-SiO

    Gellini, Cristina / Muniz-Miranda, Francesco / Pedone, Alfonso / Muniz-Miranda, Maurizio

    Beilstein journal of nanotechnology

    2018  Volume 9, Page(s) 2396–2404

    Abstract: Highly stable Ag- ... ...

    Abstract Highly stable Ag-SiO
    Language English
    Publishing date 2018-09-06
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 2583584-1
    ISSN 2190-4286
    ISSN 2190-4286
    DOI 10.3762/bjnano.9.224
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  6. Article ; Online: Surface Enhanced Raman Spectroscopy for In-Field Detection of Pesticides: A Test on Dimethoate Residues in Water and on Olive Leaves.

    Tognaccini, Lorenzo / Ricci, Marilena / Gellini, Cristina / Feis, Alessandro / Smulevich, Giulietta / Becucci, Maurizio

    Molecules (Basel, Switzerland)

    2019  Volume 24, Issue 2

    Abstract: Dimethoate (DMT) is an organophosphate insecticide commonly used to protect fruit trees and in particular olive trees. Since it is highly water-soluble, its use on olive trees is considered quite safe, because it flows away in the residual water during ... ...

    Abstract Dimethoate (DMT) is an organophosphate insecticide commonly used to protect fruit trees and in particular olive trees. Since it is highly water-soluble, its use on olive trees is considered quite safe, because it flows away in the residual water during the oil extraction process. However, its use is strictly regulated, specially on organic cultures. The organic production chain certification is not trivial, since DMT rapidly degrades to omethoate (OMT) and both disappear in about two months. Therefore, simple, sensitive, cost-effective and accurate methods for the determination of dimethoate, possibly suitable for in-field application, can be of great interest. In this work, a quick screening method, possibly useful for organic cultures certification will be presented. DMT and OMT in water and on olive leaves have been detected by surface enhanced Raman spectroscopy (SERS) using portable instrumentations. On leaves, the SERS signals were measured with a reasonably good S/N ratio, allowing us to detect DMT at a concentration up to two orders of magnitude lower than the one usually recommended for in-field treatments. Moreover, detailed information on the DMT distribution on the leaves has been obtained by Raman line- (or area-) scanning experiments.
    MeSH term(s) Dimethoate/analysis ; Molecular Structure ; Olea/chemistry ; Pesticide Residues/analysis ; Pesticides/analysis ; Plant Leaves/chemistry ; Spectrum Analysis, Raman/methods ; Water Pollution, Chemical
    Chemical Substances Pesticide Residues ; Pesticides ; Dimethoate (W6U08B045O)
    Language English
    Publishing date 2019-01-15
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 1413402-0
    ISSN 1420-3049 ; 1431-5165 ; 1420-3049
    ISSN (online) 1420-3049
    ISSN 1431-5165 ; 1420-3049
    DOI 10.3390/molecules24020292
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  7. Article ; Online: Bifunctional Fe

    Muniz-Miranda, Maurizio / Gellini, Cristina / Giorgetti, Emilia / Margheri, Giancarlo

    Journal of colloid and interface science

    2017  Volume 489, Page(s) 100–105

    Abstract: Hypothesis: Bimetallic nanoparticles made of iron oxide and Ag could be fabricated by pulsed laser ablation of iron and silver targets in pure water by a two-step route. These nanoparticles could exhibit both magnetic and plasmonic properties.: ... ...

    Abstract Hypothesis: Bimetallic nanoparticles made of iron oxide and Ag could be fabricated by pulsed laser ablation of iron and silver targets in pure water by a two-step route. These nanoparticles could exhibit both magnetic and plasmonic properties.
    Experiments: Bimetallic nanoparticles were fabricated by using a focused Nd:YAG nanosecond laser source emitting a 1064nm wavelength radiation and characterized with ζ-potential, Dynamic Light Scattering (DLS), UV-vis absorption, Transmission Electron Microscopy (TEM), High Resolution TEM (HRTEM), Energy Dispersive X-ray Spectrometry (EDX), and Selected Area Electron Diffraction (SAED). The magnetic character of the nanoparticles was ascertained by observing attraction by a magnet and complete removing from the water environment, while their SERS (surface-enhanced Raman scattering) response was checked by decorating them with 2,2'-bipyridine as molecular reporter and performing Raman tests with green (514.5nm) and far-red (785nm) excitation wavelengths.
    Findings: The observed magnetic attraction was due to magnetite (Fe
    Language English
    Publishing date 2017-03-01
    Publishing country United States
    Document type Journal Article
    ZDB-ID 241597-5
    ISSN 1095-7103 ; 0021-9797
    ISSN (online) 1095-7103
    ISSN 0021-9797
    DOI 10.1016/j.jcis.2016.08.040
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  8. Article ; Online: Characterization of a Ruthenium(II) Complex in Singlet Oxygen-Mediated Photoelectrochemical Sensing.

    Verrucchi, Margherita / Giacomazzo, Gina Elena / Sfragano, Patrick Severin / Laschi, Serena / Conti, Luca / Pagliai, Marco / Gellini, Cristina / Ricci, Marilena / Ravera, Enrico / Valtancoli, Barbara / Giorgi, Claudia / Palchetti, Ilaria

    Langmuir : the ACS journal of surfaces and colloids

    2022  Volume 39, Issue 1, Page(s) 679–689

    Abstract: A water-soluble ruthenium(II) complex (L), capable of producing singlet oxygen ( ...

    Abstract A water-soluble ruthenium(II) complex (L), capable of producing singlet oxygen (
    MeSH term(s) Singlet Oxygen ; Ruthenium ; Light ; Oxidation-Reduction ; Electrodes
    Chemical Substances titanium dioxide (15FIX9V2JP) ; Singlet Oxygen (17778-80-2) ; Ruthenium (7UI0TKC3U5)
    Language English
    Publishing date 2022-12-27
    Publishing country United States
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 2005937-1
    ISSN 1520-5827 ; 0743-7463
    ISSN (online) 1520-5827
    ISSN 0743-7463
    DOI 10.1021/acs.langmuir.2c03042
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  9. Article: Computational Investigation of the Selective Cleavage of Diastereotopic Cyclopropane Bonds in 5-Spirocyclopropane Isoxazolidines Rearrangement

    Briccolani-Bandini, Lorenzo / Brandi, Alberto / Cardini, Gianni / Chelli, Riccardo / Cordero, Franca M / Gellini, Cristina / Pagliai, Marco

    Journal of organic chemistry. 2019 May 01, v. 84, no. 11

    2019  

    Abstract: The complete path of the Brandi–Guarna rearrangement of 5-spirocyclopropane isoxazolidines has been investigated by means of density functional theory calculations to rationalize the competing formation of tetrahydropyridones and enaminones by the ... ...

    Abstract The complete path of the Brandi–Guarna rearrangement of 5-spirocyclopropane isoxazolidines has been investigated by means of density functional theory calculations to rationalize the competing formation of tetrahydropyridones and enaminones by the determination of the minimum energy reaction paths. Our calculations confirm that the rearrangement is triggered by the homolysis of the isoxazolidine N–O bond followed by cleavage of one of the two C–CH2 cyclopropane bonds as previously proposed by the Fabian group [Eur. J. Org. Chem. 2001, 2001, 4223]. In addition, the results of this work suggest that in the presence of a stereogenic center at isoxazolidine C-4′, the formation of a piperidinone or an enaminone as the final product depends on which of the two diastereotopic C–CH2 bonds of cyclopropane is cleaved in the second step of the process. The result can be of great interest for the understanding of other processes involving the opening of a cyclopropane ring.
    Keywords chemical bonding ; chemical reactions ; chemical structure ; density functional theory ; energy ; homolytic cleavage ; organic chemistry ; organic compounds
    Language English
    Dates of publication 2019-0501
    Size p. 6757-6764.
    Publishing place American Chemical Society
    Document type Article
    ZDB-ID 123490-0
    ISSN 1520-6904 ; 0022-3263
    ISSN (online) 1520-6904
    ISSN 0022-3263
    DOI 10.1021/acs.joc.9b00499
    Database NAL-Catalogue (AGRICOLA)

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  10. Article ; Online: Annealed importance sampling with constant cooling rate.

    Giovannelli, Edoardo / Cardini, Gianni / Gellini, Cristina / Pietraperzia, Giangaetano / Chelli, Riccardo

    The Journal of chemical physics

    2015  Volume 142, Issue 7, Page(s) 74102

    Abstract: Annealed importance sampling is a simulation method devised by Neal [Stat. Comput. 11, 125 (2001)] to assign weights to configurations generated by simulated annealing trajectories. In particular, the equilibrium average of a generic physical quantity ... ...

    Abstract Annealed importance sampling is a simulation method devised by Neal [Stat. Comput. 11, 125 (2001)] to assign weights to configurations generated by simulated annealing trajectories. In particular, the equilibrium average of a generic physical quantity can be computed by a weighted average exploiting weights and estimates of this quantity associated to the final configurations of the annealed trajectories. Here, we review annealed importance sampling from the perspective of nonequilibrium path-ensemble averages [G. E. Crooks, Phys. Rev. E 61, 2361 (2000)]. The equivalence of Neal's and Crooks' treatments highlights the generality of the method, which goes beyond the mere thermal-based protocols. Furthermore, we show that a temperature schedule based on a constant cooling rate outperforms stepwise cooling schedules and that, for a given elapsed computer time, performances of annealed importance sampling are, in general, improved by increasing the number of intermediate temperatures.
    Language English
    Publishing date 2015-02-21
    Publishing country United States
    Document type Journal Article
    ZDB-ID 3113-6
    ISSN 1089-7690 ; 0021-9606
    ISSN (online) 1089-7690
    ISSN 0021-9606
    DOI 10.1063/1.4907883
    Database MEDical Literature Analysis and Retrieval System OnLINE

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