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  1. Article ; Online: Old Acquaintances and Novel Complex Structures for the Ni(II) and Cu(II) Complexes of

    Bazzicalupi, Carla / Grimmer, Craig / Nikolayenko, Igor Vasyl

    Molecules (Basel, Switzerland)

    2024  Volume 29, Issue 2

    Abstract: In the process of systematically studying the ... ...

    Abstract In the process of systematically studying the methylhydroxyiminoethaneamide
    Language English
    Publishing date 2024-01-20
    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/molecules29020522
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    In stock of ZB MED Cologne/Königswinter

    Zs.MO 81: Show issues

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  2. Article ; Online: Novel cyclen-polyiodide complexes: a reappraisal of I-I covalent and secondary bond limits.

    Savastano, Matteo / Bazzicalupi, Carla / Bianchi, Antonio

    Dalton transactions (Cambridge, England : 2003)

    2022  Volume 51, Issue 28, Page(s) 10728–10739

    Abstract: Supramolecular stabilization of polyiodides and iodine-dense phases is of high interest: this study explores the possibilities offered in this sense by diprotonated cyclen, affording two novel crystal structures. One of them contains at least one ... ...

    Abstract Supramolecular stabilization of polyiodides and iodine-dense phases is of high interest: this study explores the possibilities offered in this sense by diprotonated cyclen, affording two novel crystal structures. One of them contains at least one peculiar I⋯I interatomic distance (3.305(1) Å), falling well below the region commonly described by secondary bonding (3.4-3.7 Å) and essentially equal to the accepted limit for covalent bonding (3.30 Å): in other words, according to threshold distance values, we are relatively free to regard this interaction either as a bond or as contact. Lest the flip of a coin decides if we should or should not draw a bond in a polyiodide, statistical insights based on CSD surveys were used to put in perspective literature material and work out a meaningful assignment (as I
    Language English
    Publishing date 2022-07-19
    Publishing country England
    Document type Journal Article
    ZDB-ID 1472887-4
    ISSN 1477-9234 ; 1364-5447 ; 0300-9246 ; 1477-9226
    ISSN (online) 1477-9234 ; 1364-5447
    ISSN 0300-9246 ; 1477-9226
    DOI 10.1039/d2dt00185c
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  3. Article ; Online: Inorganic anion recognition in aqueous solution by coupling nearby highly hydrophilic and hydrophobic moieties in a macrocyclic receptor.

    Romano, Giammarco M / Savastano, Matteo / Bazzicalupi, Carla / Chelli, Riccardo / Lippolis, Vito / Bencini, Andrea

    Dalton transactions (Cambridge, England : 2003)

    2023  Volume 52, Issue 19, Page(s) 6457–6472

    Abstract: Receptor L, composed of a tripropylenetetramine chain linking the 2 and 7 positions of an acridine ... ...

    Abstract Receptor L, composed of a tripropylenetetramine chain linking the 2 and 7 positions of an acridine unit
    Language English
    Publishing date 2023-05-16
    Publishing country England
    Document type Journal Article
    ZDB-ID 1472887-4
    ISSN 1477-9234 ; 1364-5447 ; 0300-9246 ; 1477-9226
    ISSN (online) 1477-9234 ; 1364-5447
    ISSN 0300-9246 ; 1477-9226
    DOI 10.1039/d3dt00682d
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  4. 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
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  5. Article ; Online: Porous Frameworks Based on Supramolecular Ball Joints: Bringing Flexibility to Ordered 3D Lattices.

    Savastano, Matteo / Bazzicalupi, Carla / Bianchi, Antonio

    Chemistry (Weinheim an der Bergstrasse, Germany)

    2020  Volume 26, Issue 27, Page(s) 5994–6005

    Abstract: XOFs-type materials (X=M, C, S, that is, metal-organic frameworks, covalent organic frameworks and supramolecular organic frameworks, respectively) share a common unifying feature: mutual spatial orientation of constituting components is strictly ... ...

    Abstract XOFs-type materials (X=M, C, S, that is, metal-organic frameworks, covalent organic frameworks and supramolecular organic frameworks, respectively) share a common unifying feature: mutual spatial orientation of constituting components is strictly directional and unchanging by design. Herein, we illustrate an alternate design for porous architectures, as rigid joints constituted by coordinative (MOFs), covalent (COFs), or hydrogen-donor/acceptor (SOFs) bonds, are replaced by supramolecular ball joints, which confer unprecedented flexibility, especially angular, to porous networks. The obtained frameworks remain highly organized but are also permutable: lacking a forced convergence towards an immutable minimum energy structure, these systems remain able to adjust depending on external conditions. Results of POF (permutable organized framework) synthesis is a family of structures rather than a single pre-determined three-dimensional arrangement, as we demonstrate with an illustrative set of 5 XRD structures.
    Language English
    Publishing date 2020-04-17
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 1478547-X
    ISSN 1521-3765 ; 0947-6539
    ISSN (online) 1521-3765
    ISSN 0947-6539
    DOI 10.1002/chem.202000505
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  6. Article ; Online: A Norbornadiene-Based Molecular System for the Storage of Solar-Thermal Energy in an Aqueous Solution: Study of the Heat-Release Process Triggered by a Co(II)-Complex.

    Castro, Franco / Gancheff, Jorge S / Ramos, Juan C / Seoane, Gustavo / Bazzicalupi, Carla / Bianchi, Antonio / Ridi, Francesca / Savastano, Matteo

    Molecules (Basel, Switzerland)

    2023  Volume 28, Issue 21

    Abstract: It is urgent yet challenging to develop new environmentally friendly and cost-effective sources of energy. Molecular solar thermal (MOST) systems for energy capture and storage are a promising option. With this in mind, we have prepared a new water- ... ...

    Abstract It is urgent yet challenging to develop new environmentally friendly and cost-effective sources of energy. Molecular solar thermal (MOST) systems for energy capture and storage are a promising option. With this in mind, we have prepared a new water-soluble (pH > 6) norbornadiene derivative (HNBD1) whose MOST properties are reported here. HNBD1 shows a better matching to the solar spectrum compared to unmodified norbornadiene, with an onset absorbance of λ
    Language English
    Publishing date 2023-10-25
    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/molecules28217270
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    In stock of ZB MED Cologne/Königswinter

    Zs.MO 81: Show issues

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  7. Article ; Online: Crystal engineering of high explosives through lone pair-π interactions: Insights for improving thermal safety.

    Savastano, Matteo / López de la Torre, María Dolores / Pagliai, Marco / Poggi, Giovanna / Ridi, Francesca / Bazzicalupi, Carla / Melguizo, Manuel / Bianchi, Antonio

    iScience

    2023  Volume 26, Issue 9, Page(s) 107330

    Abstract: In this high-risk/high-reward study, we prepared complexes of a high explosive anion (picrate) with potentially ... ...

    Abstract In this high-risk/high-reward study, we prepared complexes of a high explosive anion (picrate) with potentially explosive
    Language English
    Publishing date 2023-07-10
    Publishing country United States
    Document type Journal Article
    ISSN 2589-0042
    ISSN (online) 2589-0042
    DOI 10.1016/j.isci.2023.107330
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  8. Article: Computationally enhanced X-ray diffraction analysis of a gold(III) complex interacting with the human telomeric DNA G-quadruplex. Unravelling non-unique ligand positioning

    Cirri, Damiano / Bazzicalupi, Carla / Ryde, Ulf / Bergmann, Justin / Binacchi, Francesca / Nocentini, Alessio / Pratesi, Alessandro / Gratteri, Paola / Messori, Luigi

    International journal of biological macromolecules. 2022 June 30, v. 211

    2022  

    Abstract: The crystal structure of the human telomeric DNA Tel24 G-quadruplex (Tel24 = TAG₃(T₂AG₃)₃T) in complex with the novel [AuL] species (with L = 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine - TPymT-α) was solved by a novel joint molecular mechanical (MM)/quantum ... ...

    Abstract The crystal structure of the human telomeric DNA Tel24 G-quadruplex (Tel24 = TAG₃(T₂AG₃)₃T) in complex with the novel [AuL] species (with L = 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine - TPymT-α) was solved by a novel joint molecular mechanical (MM)/quantum mechanical (QM) innovative approach. The quantum-refinement crystallographic method (crystallographic refinement enhanced with quantum mechanical calculation) was adapted to treat the [AuL]/G-quadruplex structure, where each gold complex in the binding site was found spread over four equally occupied positions. The four positions were first determined by docking restrained to the crystallographically determined metal ions' coordinates. Then, the quantum refinement method was used to resolve the poorly defined density around the ligands and improve the crystallographic determination, revealing that the binding preferences of this metallodrug toward Tel24 G-quadruplex arise from a combined effect of pyrimidine stacking, metal–guanine interactions and charge–charge neutralizing action of the π-acid triazine. The occurrence of interaction in solution with the Tel24 G-quadruplex DNA was further proved through DNA melting experiments, which showed a slight destabilisation of the quadruplex upon adduct formation.
    Keywords DNA ; X-ray diffraction ; crystal structure ; gold ; humans ; ligands ; nucleic acid conformation ; quantum mechanics ; telomeres ; triazines
    Language English
    Dates of publication 2022-0630
    Size p. 506-513.
    Publishing place Elsevier B.V.
    Document type Article
    ZDB-ID 282732-3
    ISSN 1879-0003 ; 0141-8130
    ISSN (online) 1879-0003
    ISSN 0141-8130
    DOI 10.1016/j.ijbiomac.2022.05.033
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    Zs.B 2374: Show issues Location:
    Je nach Verfügbarkeit (siehe Angabe bei Bestand)
    bis Jg. 2021: Bestellungen von Artikeln über das Online-Bestellformular
    ab Jg. 2022: Lesesaal (EG)

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  9. Article ; Online: Oxygen reduction reaction (ORR) in alkaline solution catalysed by an atomically precise catalyst based on a Pd(II) complex supported on multi-walled carbon nanotubes (MWCNTs). Electrochemical and structural considerations.

    Monini, Valeria / Bonechi, Marco / Bazzicalupi, Carla / Bianchi, Antonio / Gentilesca, Pietro / Giurlani, Walter / Innocenti, Massimo / Meoli, Arianna / Romano, Giammarco Maria / Savastano, Matteo

    Dalton transactions (Cambridge, England : 2003)

    2024  Volume 53, Issue 6, Page(s) 2487–2500

    Abstract: A new atomically precise, single-ion catalyst (MWCNT-LPd) for ORR (oxygen reduction reaction), consisting of a Pd(II) complex of a tetraazacycloalkane anchored on multiwalled carbon nanotubes, has been prepared through a supramolecular approach ensuring ... ...

    Abstract A new atomically precise, single-ion catalyst (MWCNT-LPd) for ORR (oxygen reduction reaction), consisting of a Pd(II) complex of a tetraazacycloalkane anchored on multiwalled carbon nanotubes, has been prepared through a supramolecular approach ensuring a uniform distribution of catalytic centres on the support surface. A tetraazacycloalkane was chosen to saturate the four coordination sites of the typical square planar coordination geometry of Pd(II) with the aim of ascertaining whether the metal ion must have free coordination sites to function effectively in the ORR or whether, as predicted by quantum mechanical calculations, the catalytic effect can be originated from an interaction of O
    Language English
    Publishing date 2024-02-06
    Publishing country England
    Document type Journal Article
    ZDB-ID 1472887-4
    ISSN 1477-9234 ; 1364-5447 ; 0300-9246 ; 1477-9226
    ISSN (online) 1477-9234 ; 1364-5447
    ISSN 0300-9246 ; 1477-9226
    DOI 10.1039/d3dt03947a
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  10. 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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