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  1. Article ; Online: Insight into structural biophysics from solution X-ray scattering.

    Raviv, Uri / Asor, Roi / Shemesh, Asaf / Ginsburg, Avi / Ben-Nun, Tal / Schilt, Yaelle / Levartovsky, Yehonatan / Ringel, Israel

    Journal of structural biology

    2023  Volume 215, Issue 4, Page(s) 108029

    Abstract: The current challenges of structural biophysics include determining the structure of large self-assembled complexes, resolving the structure of ensembles of complex structures and their mass fraction, and unraveling the dynamic pathways and mechanisms ... ...

    Abstract The current challenges of structural biophysics include determining the structure of large self-assembled complexes, resolving the structure of ensembles of complex structures and their mass fraction, and unraveling the dynamic pathways and mechanisms leading to the formation of complex structures from their subunits. Modern synchrotron solution X-ray scattering data enable simultaneous high-spatial and high-temporal structural data required to address the current challenges of structural biophysics. These data are complementary to crystallography, NMR, and cryo-TEM data. However, the analysis of solution scattering data is challenging; hence many different analysis tools, listed in the SAS Portal (http://smallangle.org/), were developed. In this review, we start by briefly summarizing classical X-ray scattering analyses providing insight into fundamental structural and interaction parameters. We then describe recent developments, integrating simulations, theory, and advanced X-ray scattering modeling, providing unique insights into the structure, energetics, and dynamics of self-assembled complexes. The structural information is essential for understanding the underlying physical chemistry principles leading to self-assembled supramolecular architectures and computational structural refinement.
    MeSH term(s) X-Ray Diffraction ; X-Rays ; Scattering, Small Angle ; Magnetic Resonance Imaging
    Language English
    Publishing date 2023-09-22
    Publishing country United States
    Document type Review ; Journal Article
    ZDB-ID 1032718-6
    ISSN 1095-8657 ; 1047-8477
    ISSN (online) 1095-8657
    ISSN 1047-8477
    DOI 10.1016/j.jsb.2023.108029
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    In stock of ZB MED Cologne/Königswinter

    Zs.A 1428: Show issues Location:
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  2. Article ; Online: Effect of Weakly Interacting Cosolutes on Lysozyme Conformations.

    Levartovsky, Yehonatan / Shemesh, Asaf / Asor, Roi / Raviv, Uri

    ACS omega

    2018  Volume 3, Issue 11, Page(s) 16246–16252

    Abstract: Exposure of a protein to cosolutes, like denaturants, changes its folding equilibrium. To determine the ensemble of protein conformations at equilibrium, in the presence of weakly interacting cosolutes, we present a two-stage analysis of solution X-ray ... ...

    Abstract Exposure of a protein to cosolutes, like denaturants, changes its folding equilibrium. To determine the ensemble of protein conformations at equilibrium, in the presence of weakly interacting cosolutes, we present a two-stage analysis of solution X-ray scattering data. In the first stage, Guinier analysis and Kratky plot revealed information about the compactness and flexibility of the protein. In the second stage, elastic network contact model and coarse-grained normal mode analysis were used to generate an ensemble of conformations. The scattering curves of the conformations were computed and fitted to the measured scattering curves to get insights into the dominating folding states at equilibrium. Urea and guanidine hydrochloride (GuHCl) behaved as preferentially included weakly interacting cosolutes and induced denaturation of hen egg-white lysozyme, which served as our test case. The computed models adequately fit the data and gave ensembles of conformations that were consistent with our measurements. The analysis suggests that in the presence of urea, lysozyme retained its compactness and assumed molten globule characteristics, whereas in the presence of GuHCl lysozyme adopted random coiled conformations. Interestingly, no equilibrium intermediate states were observed in both urea and GuHCl.
    Language English
    Publishing date 2018-11-29
    Publishing country United States
    Document type Journal Article
    ISSN 2470-1343
    ISSN (online) 2470-1343
    DOI 10.1021/acsomega.8b01289
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article: Enhancement of Structural, Electrochemical, and Thermal Properties of High-Energy Density Ni-Rich LiNi₀.₈₅Co₀.₁Mn₀.₀₅O₂ Cathode Materials for Li-Ion Batteries by Niobium Doping

    Levartovsky, Yehonatan / Chakraborty, Arup / Kunnikuruvan, Sooraj / Maiti, Sandipan / Grinblat, Judith / Talianker, Michael / Major, Dan Thomas / Aurbach, Doron

    ACS applied materials & interfaces. 2021 July 14, v. 13, no. 29

    2021  

    Abstract: Ni-rich layered oxide LiNi₁ – ₓ – yCoₓMnyO₂ (1 – x – y > 0.5) materials are favorable cathode materials in advanced Li-ion batteries for electromobility applications because of their high initial discharge capacity. However, they suffer from poor cycling ...

    Abstract Ni-rich layered oxide LiNi₁ – ₓ – yCoₓMnyO₂ (1 – x – y > 0.5) materials are favorable cathode materials in advanced Li-ion batteries for electromobility applications because of their high initial discharge capacity. However, they suffer from poor cycling stability because of the formation of cracks in their particles during operation. Here, we present improved structural stability, electrochemical performance, and thermal durability of LiNi₀.₈₅Co₀.₁Mn₀.₀₅O₂(NCM85). The Nb-doped cathode material, Li(Ni₀.₈₅Co₀.₁Mn₀.₀₅)₀.₉₉₇Nb₀.₀₀₃O₂, has enhanced cycling stability at different temperatures, outstanding capacity retention, improved performance at high discharge rates, and a better thermal stability compared to the undoped cathode material. The high electrochemical performance of the doped material is directly related to the structural stability of the cathode particles. We further propose that Nb-doping in NCM85 improves material stability because of partial reduction of the amount of Jahn–Teller active Ni³⁺ ions and formation of strong bonds between the dopant and the oxygen ions, based on density functional theory calculations. Structural studies of the cycled cathodes reveal that doping with niobium suppresses the formation of cracks during cycling, which are abundant in the undoped cycled material particles. The Nb-doped NCM85 cathode material also displayed superior thermal characteristics. The coherence between the improved electrochemical, structural, and thermal properties of the doped material is discussed and emphasized.
    Keywords cathodes ; density functional theory ; durability ; electrochemistry ; niobium ; oxygen ; thermal stability
    Language English
    Dates of publication 2021-0714
    Size p. 34145-34156.
    Publishing place American Chemical Society
    Document type Article
    ISSN 1944-8252
    DOI 10.1021/acsami.1c06839
    Database NAL-Catalogue (AGRICOLA)

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  4. Article ; Online: Enhancement of Structural, Electrochemical, and Thermal Properties of High-Energy Density Ni-Rich LiNi

    Levartovsky, Yehonatan / Chakraborty, Arup / Kunnikuruvan, Sooraj / Maiti, Sandipan / Grinblat, Judith / Talianker, Michael / Major, Dan Thomas / Aurbach, Doron

    ACS applied materials & interfaces

    2021  Volume 13, Issue 29, Page(s) 34145–34156

    Abstract: Ni-rich layered oxide ... ...

    Abstract Ni-rich layered oxide LiNi
    Language English
    Publishing date 2021-07-14
    Publishing country United States
    Document type Journal Article
    ISSN 1944-8252
    ISSN (online) 1944-8252
    DOI 10.1021/acsami.1c06839
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  5. Article ; Online: High-spatial-resolution mapping of catalytic reactions on single particles.

    Wu, Chung-Yeh / Wolf, William J / Levartovsky, Yehonatan / Bechtel, Hans A / Martin, Michael C / Toste, F Dean / Gross, Elad

    Nature

    2017  Volume 541, Issue 7638, Page(s) 511–515

    Abstract: The critical role in surface reactions and heterogeneous catalysis of metal atoms with low coordination numbers, such as found at atomic steps and surface defects, is firmly established. But despite the growing availability of tools that enable detailed ... ...

    Abstract The critical role in surface reactions and heterogeneous catalysis of metal atoms with low coordination numbers, such as found at atomic steps and surface defects, is firmly established. But despite the growing availability of tools that enable detailed in situ characterization, so far it has not been possible to document this role directly. Surface properties can be mapped with high spatial resolution, and catalytic conversion can be tracked with a clear chemical signature; however, the combination of the two, which would enable high-spatial-resolution detection of reactions on catalytic surfaces, has rarely been achieved. Single-molecule fluorescence spectroscopy has been used to image and characterize single turnover sites at catalytic surfaces, but is restricted to reactions that generate highly fluorescing product molecules. Herein the chemical conversion of N-heterocyclic carbene molecules attached to catalytic particles is mapped using synchrotron-radiation-based infrared nanospectroscopy with a spatial resolution of 25 nanometres, which enabled particle regions that differ in reactivity to be distinguished. These observations demonstrate that, compared to the flat regions on top of the particles, the peripheries of the particles-which contain metal atoms with low coordination numbers-are more active in catalysing oxidation and reduction of chemically active groups in surface-anchored N-heterocyclic carbene molecules.
    Language English
    Publishing date 2017--26
    Publishing country England
    Document type Journal Article ; Research Support, U.S. Gov't, Non-P.H.S.
    ZDB-ID 120714-3
    ISSN 1476-4687 ; 0028-0836
    ISSN (online) 1476-4687
    ISSN 0028-0836
    DOI 10.1038/nature20795
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    In stock of ZB MED Cologne/Königswinter

    Zs.A 26: Show issues Location:
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    Zs.MG 9: Show issues
    Zs.MO 244: Show issues

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  6. Article: D+

    Ginsburg, Avi / Ben-Nun, Tal / Asor, Roi / Shemesh, Asaf / Fink, Lea / Tekoah, Roee / Levartovsky, Yehonatan / Khaykelson, Daniel / Dharan, Raviv / Fellig, Amos / Raviv, Uri

    Journal of applied crystallography

    2019  Volume 52, Issue Pt 1, Page(s) 219–242

    Abstract: This paper presents the computer ... ...

    Abstract This paper presents the computer program
    Language English
    Publishing date 2019-02-01
    Publishing country United States
    Document type Journal Article
    ZDB-ID 2020879-0
    ISSN 1600-5767 ; 0021-8898
    ISSN (online) 1600-5767
    ISSN 0021-8898
    DOI 10.1107/S1600576718018046
    Database MEDical Literature Analysis and Retrieval System OnLINE

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