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  1. Book ; Online: Concorso a cattedre 2016 classe A19: Storia e filosofia, le domande dellorale

    Sacchi, Martino

    2016  

    Keywords Literature (General)
    Size 1 electronic resource (325 p.)
    Publisher Ledizioni - LediPublishing
    Document type Book ; Online
    Note Italian ; Open Access
    HBZ-ID HT020091292
    ISBN 9788867054411 ; 8867054414
    Database ZB MED Catalogue: Medicine, Health, Nutrition, Environment, Agriculture

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  2. Article: Water adsorption and dynamics on graphene and other 2D materials: Computational and experimental advances.

    Sacchi, M / Tamtögl, A

    Advances in physics: X

    2023  Volume 8, Issue 1, Page(s) 2134051

    Abstract: The interaction of water and surfaces, at molecular level, is of critical importance for understanding processes such as corrosion, friction, catalysis and mass transport. The significant literature on interactions with single crystal metal surfaces ... ...

    Abstract The interaction of water and surfaces, at molecular level, is of critical importance for understanding processes such as corrosion, friction, catalysis and mass transport. The significant literature on interactions with single crystal metal surfaces should not obscure unknowns in the unique behaviour of ice and the complex relationships between adsorption, diffusion and long-range inter-molecular interactions. Even less is known about the atomic-scale behaviour of water on novel, non-metallic interfaces, in particular on graphene and other 2D materials. In this manuscript, we review recent progress in the characterisation of water adsorption on 2D materials, with a focus on the nano-material graphene and graphitic nanostructures; materials which are of paramount importance for separation technologies, electrochemistry and catalysis, to name a few. The adsorption of water on graphene has also become one of the benchmark systems for modern computational methods, in particular dispersion-corrected density functional theory (DFT). We then review recent experimental and theoretical advances in studying the single-molecular motion of water at surfaces, with a special emphasis on scattering approaches as they allow an unparalleled window of observation to water surface motion, including diffusion, vibration and self-assembly.
    Language English
    Publishing date 2023-01-15
    Publishing country England
    Document type Journal Article
    ISSN 2374-6149
    ISSN 2374-6149
    DOI 10.1080/23746149.2022.2134051
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article ; Online: Quantum and classical effects in DNA point mutations: Watson-Crick tautomerism in AT and GC base pairs.

    Slocombe, L / Al-Khalili, J S / Sacchi, M

    Physical chemistry chemical physics : PCCP

    2021  Volume 23, Issue 7, Page(s) 4141–4150

    Abstract: Proton transfer along the hydrogen bonds of DNA can lead to the creation of short-lived, but biologically relevant point mutations that can further lead to gene mutation and, potentially, cancer. In this work, the energy landscape of the canonical A-T ... ...

    Abstract Proton transfer along the hydrogen bonds of DNA can lead to the creation of short-lived, but biologically relevant point mutations that can further lead to gene mutation and, potentially, cancer. In this work, the energy landscape of the canonical A-T and G-C base pairs (standard, amino-keto) to tautomeric A*-T* and G*-C* (non-standard, imino-enol) Watson-Crick DNA base pairs is modelled with density functional theory and machine-learning nudge-elastic band methods. We calculate the energy barriers and tunnelling rates of hydrogen transfer between and within each base monomer (A, T, G and C). We show that the role of tunnelling in A-T tautomerisation is statistically unlikely due to the presence of a small reverse reaction barrier. On the contrary, the thermal populations of the G*-C* point mutation could be non-trivial and propagate through the replisome. For the direct intramolecular transfer, the reaction is hindered by a substantial energy barrier. However, our calculations indicate that tautomeric bases in their monomeric form have remarkably long lifetimes.
    MeSH term(s) Base Pairing ; DNA/chemistry ; DNA/genetics ; Density Functional Theory ; Hydrogen Bonding ; Isomerism ; Models, Chemical ; Point Mutation ; Protons ; Thermodynamics
    Chemical Substances Protons ; DNA (9007-49-2)
    Language English
    Publishing date 2021-02-20
    Publishing country England
    Document type Journal Article
    ZDB-ID 1476244-4
    ISSN 1463-9084 ; 1463-9076
    ISSN (online) 1463-9084
    ISSN 1463-9076
    DOI 10.1039/d0cp05781a
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  4. Article: Resorbable conductive materials for optimally interfacing medical devices with the living.

    Sacchi, Marta / Sauter-Starace, Fabien / Mailley, Pascal / Texier, Isabelle

    Frontiers in bioengineering and biotechnology

    2024  Volume 12, Page(s) 1294238

    Abstract: Implantable and wearable bioelectronic systems are arising growing interest in the medical field. Linking the microelectronic (electronic conductivity) and biological (ionic conductivity) worlds, the biocompatible conductive materials at the electrode/ ... ...

    Abstract Implantable and wearable bioelectronic systems are arising growing interest in the medical field. Linking the microelectronic (electronic conductivity) and biological (ionic conductivity) worlds, the biocompatible conductive materials at the electrode/tissue interface are key components in these systems. We herein focus more particularly on resorbable bioelectronic systems, which can safely degrade in the biological environment once they have completed their purpose, namely, stimulating or sensing biological activity in the tissues. Resorbable conductive materials are also explored in the fields of tissue engineering and 3D cell culture. After a short description of polymer-based substrates and scaffolds, and resorbable electrical conductors, we review how they can be combined to design resorbable conductive materials. Although these materials are still emerging, various medical and biomedical applications are already taking shape that can profoundly modify post-operative and wound healing follow-up. Future challenges and perspectives in the field are proposed.
    Language English
    Publishing date 2024-02-21
    Publishing country Switzerland
    Document type Journal Article ; Review
    ZDB-ID 2719493-0
    ISSN 2296-4185
    ISSN 2296-4185
    DOI 10.3389/fbioe.2024.1294238
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  5. Article: Editorial: Dynamics at surfaces: understanding energy dissipation and physicochemical processes at the atomic and molecular level.

    Tamtögl, Anton / Chadwick, Helen / Lechner, Barbara A J / Sacchi, Marco

    Frontiers in chemistry

    2024  Volume 12, Page(s) 1411748

    Language English
    Publishing date 2024-04-18
    Publishing country Switzerland
    Document type Editorial
    ZDB-ID 2711776-5
    ISSN 2296-2646
    ISSN 2296-2646
    DOI 10.3389/fchem.2024.1411748
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  6. Article ; Online: Multichannel Sparse Deconvolution of Teleseismic Receiver Functions With f − x Preconditioning

    Sun, W. / Sacchi, M. D. / Gu, Y. J.

    Journal of Geophysical Research: Solid Earth. 2023 Apr., v. 128, no. 4 p.e2022JB025625-

    2023  

    Abstract: Teleseismic receiver functions (RFs) are an effective tool for structural imaging due to their simplicity and sensitivity to changes in rock elastic properties. Generally, RFs are estimated through trace‐by‐trace deconvolution. This individualized ... ...

    Abstract Teleseismic receiver functions (RFs) are an effective tool for structural imaging due to their simplicity and sensitivity to changes in rock elastic properties. Generally, RFs are estimated through trace‐by‐trace deconvolution. This individualized approach ignores the lateral coherency among RFs from neighboring raypaths, which could lead to rougher or incorrect seismic sections due to the presence of noise. This study presents a multichannel sparse deconvolution method that takes advantage of the cross‐trace coherency of RFs at individual stations for stable and accurate imaging outcomes. The proposed algorithm incorporates sparse inversion and frequency‐space prediction filters, which facilitate the retrieval of high‐resolution and spatially continuous conversion energy. Rigorous testing using synthetic and actual data typically suggests the higher robustness of multichannel deconvolution over single‐channel deconvolution, especially under low signal‐to‐noise ratios. The noise‐resistance property of the multichannel approach offers new opportunities to increase the volume of usable, high‐quality data for receiver function analysis.
    Keywords algorithms ; energy ; prediction ; research
    Language English
    Dates of publication 2023-04
    Publishing place John Wiley & Sons, Ltd
    Document type Article ; Online
    Note JOURNAL ARTICLE
    ISSN 2169-9313
    DOI 10.1029/2022JB025625
    Database NAL-Catalogue (AGRICOLA)

    Full text online

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  7. Article ; Online: First-Principles Microkinetic Modeling Unravelling the Performance of Edge-Decorated Nanocarbons for Hydrogen Production from Methane.

    Xavier, Neubi F / Bauerfeldt, Glauco F / Sacchi, Marco

    ACS applied materials & interfaces

    2023  Volume 15, Issue 5, Page(s) 6951–6962

    Abstract: The doping of graphitic and nanocarbon structures with nonmetal atoms allows for the tuning of surface electronic properties and the generation of new active sites, which can then be exploited for several catalytic applications. In this work, we ... ...

    Abstract The doping of graphitic and nanocarbon structures with nonmetal atoms allows for the tuning of surface electronic properties and the generation of new active sites, which can then be exploited for several catalytic applications. In this work, we investigate the direct conversion of methane into H
    Language English
    Publishing date 2023-01-26
    Publishing country United States
    Document type Journal Article
    ISSN 1944-8252
    ISSN (online) 1944-8252
    DOI 10.1021/acsami.2c20937
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  8. Article ; Online: How proton transfer impacts hachimoji DNA.

    Warman, Harry / Slocombe, Louie / Sacchi, Marco

    RSC advances

    2023  Volume 13, Issue 20, Page(s) 13384–13396

    Abstract: Hachimoji DNA is a synthetic nucleic acid extension of DNA, formed by an additional four bases, Z, P, S, and B, that can encode information and sustain Darwinian evolution. In this paper, we aim to look into the properties of hachimoji DNA and ... ...

    Abstract Hachimoji DNA is a synthetic nucleic acid extension of DNA, formed by an additional four bases, Z, P, S, and B, that can encode information and sustain Darwinian evolution. In this paper, we aim to look into the properties of hachimoji DNA and investigate the probability of proton transfer between the bases, resulting in base mismatch under replication. First, we present a proton transfer mechanism for hachimoji DNA, analogous to the one presented by Löwdin years prior. Then, we use density functional theory to calculate proton transfer rates, tunnelling factors and the kinetic isotope effect in hachimoji DNA. We determined that the reaction barriers are sufficiently low that proton transfer is likely to occur even at biological temperatures. Furthermore, the rates of proton transfer of hachimoji DNA are much faster than in Watson-Crick DNA due to the barrier for Z-P and S-B being 30% lower than in G-C and A-T. Suggesting that proton transfer occurs more frequently in hachimoji DNA than canonical DNA, potentially leading to a higher mutation rate.
    Language English
    Publishing date 2023-05-02
    Publishing country England
    Document type Journal Article
    ISSN 2046-2069
    ISSN (online) 2046-2069
    DOI 10.1039/d3ra00983a
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  9. Article ; Online: Molecular motion of a nanoscopic moonlander via translations and rotations of triphenylphosphine on graphite.

    Tamtögl, Anton / Sacchi, Marco / Schwab, Victoria / Koza, Michael M / Fouquet, Peter

    Communications chemistry

    2024  Volume 7, Issue 1, Page(s) 78

    Abstract: Mass transport at surfaces determines the kinetics of processes such as heterogeneous catalysis and thin-film growth, with the diffusivity being controlled by excitation across a translational barrier. Here, we use neutron spectroscopy to follow the ... ...

    Abstract Mass transport at surfaces determines the kinetics of processes such as heterogeneous catalysis and thin-film growth, with the diffusivity being controlled by excitation across a translational barrier. Here, we use neutron spectroscopy to follow the nanoscopic motion of triphenylphosphine (P(C
    Language English
    Publishing date 2024-04-06
    Publishing country England
    Document type Journal Article
    ZDB-ID 2929562-2
    ISSN 2399-3669 ; 2399-3669
    ISSN (online) 2399-3669
    ISSN 2399-3669
    DOI 10.1038/s42004-024-01158-7
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  10. Article: Theoretical insights into the methane catalytic decomposition on graphene nanoribbons edges.

    Xavier, Neubi F / Payne, Anthony J R / Bauerfeldt, Glauco F / Sacchi, Marco

    Frontiers in chemistry

    2023  Volume 11, Page(s) 1172687

    Abstract: Catalytic methane decomposition (CMD) is receiving much attention as a promising application for hydrogen production. Due to the high energy required for breaking the C-H bonds of methane, the choice of catalyst is crucial to the viability of this ... ...

    Abstract Catalytic methane decomposition (CMD) is receiving much attention as a promising application for hydrogen production. Due to the high energy required for breaking the C-H bonds of methane, the choice of catalyst is crucial to the viability of this process. However, atomistic insights for the CMD mechanism on carbon-based materials are still limited. Here, we investigate the viability of CMD under reaction conditions on the zigzag (12-ZGNR) and armchair (AGRN) edges of graphene nanoribbons employing dispersion-corrected density functional theory (DFT). First, we investigated the desorption of H and H
    Language English
    Publishing date 2023-06-01
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2711776-5
    ISSN 2296-2646
    ISSN 2296-2646
    DOI 10.3389/fchem.2023.1172687
    Database MEDical Literature Analysis and Retrieval System OnLINE

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