--- _id: '13354' abstract: - lang: eng text: 'Integrating light-sensitive molecules within nanoparticle (NP) assemblies is an attractive approach to fabricate new photoresponsive nanomaterials. Here, we describe the concept of photocleavable anionic glue (PAG): small trianions capable of mediating interactions between (and inducing the aggregation of) cationic NPs by means of electrostatic interactions. Exposure to light converts PAGs into dianionic products incapable of maintaining the NPs in an assembled state, resulting in light-triggered disassembly of NP aggregates. To demonstrate the proof-of-concept, we work with an organic PAG incorporating the UV-cleavable o-nitrobenzyl moiety and an inorganic PAG, the photosensitive trioxalatocobaltate(III) complex, which absorbs light across the entire visible spectrum. Both PAGs were used to prepare either amorphous NP assemblies or regular superlattices with a long-range NP order. These NP aggregates disassembled rapidly upon light exposure for a specific time, which could be tuned by the incident light wavelength or the amount of PAG used. Selective excitation of the inorganic PAG in a system combining the two PAGs results in a photodecomposition product that deactivates the organic PAG, enabling nontrivial disassembly profiles under a single type of external stimulus.' article_processing_charge: No article_type: original author: - first_name: Jinhua full_name: Wang, Jinhua last_name: Wang - first_name: Tzuf Shay full_name: Peled, Tzuf Shay last_name: Peled - first_name: Rafal full_name: Klajn, Rafal id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b last_name: Klajn citation: ama: Wang J, Peled TS, Klajn R. Photocleavable anionic glues for light-responsive nanoparticle aggregates. Journal of the American Chemical Society. 2023;145(7):4098-4108. doi:10.1021/jacs.2c11973 apa: Wang, J., Peled, T. S., & Klajn, R. (2023). Photocleavable anionic glues for light-responsive nanoparticle aggregates. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/jacs.2c11973 chicago: Wang, Jinhua, Tzuf Shay Peled, and Rafal Klajn. “Photocleavable Anionic Glues for Light-Responsive Nanoparticle Aggregates.” Journal of the American Chemical Society. American Chemical Society, 2023. https://doi.org/10.1021/jacs.2c11973. ieee: J. Wang, T. S. Peled, and R. Klajn, “Photocleavable anionic glues for light-responsive nanoparticle aggregates,” Journal of the American Chemical Society, vol. 145, no. 7. American Chemical Society, pp. 4098–4108, 2023. ista: Wang J, Peled TS, Klajn R. 2023. Photocleavable anionic glues for light-responsive nanoparticle aggregates. Journal of the American Chemical Society. 145(7), 4098–4108. mla: Wang, Jinhua, et al. “Photocleavable Anionic Glues for Light-Responsive Nanoparticle Aggregates.” Journal of the American Chemical Society, vol. 145, no. 7, American Chemical Society, 2023, pp. 4098–108, doi:10.1021/jacs.2c11973. short: J. Wang, T.S. Peled, R. Klajn, Journal of the American Chemical Society 145 (2023) 4098–4108. date_created: 2023-08-01T09:33:08Z date_published: 2023-02-09T00:00:00Z date_updated: 2023-08-02T10:44:22Z day: '09' doi: 10.1021/jacs.2c11973 extern: '1' external_id: pmid: - '36757850' intvolume: ' 145' issue: '7' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.1021/jacs.2c11973 month: '02' oa: 1 oa_version: Published Version page: 4098-4108 pmid: 1 publication: Journal of the American Chemical Society publication_identifier: eissn: - 1520-5126 issn: - 0002-7863 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Photocleavable anionic glues for light-responsive nanoparticle aggregates type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 145 year: '2023' ... --- _id: '13216' abstract: - lang: eng text: Physical catalysts often have multiple sites where reactions can take place. One prominent example is single-atom alloys, where the reactive dopant atoms can preferentially locate in the bulk or at different sites on the surface of the nanoparticle. However, ab initio modeling of catalysts usually only considers one site of the catalyst, neglecting the effects of multiple sites. Here, nanoparticles of copper doped with single-atom rhodium or palladium are modeled for the dehydrogenation of propane. Single-atom alloy nanoparticles are simulated at 400–600 K, using machine learning potentials trained on density functional theory calculations, and then the occupation of different single-atom active sites is identified using a similarity kernel. Further, the turnover frequency for all possible sites is calculated for propane dehydrogenation to propene through microkinetic modeling using density functional theory calculations. The total turnover frequencies of the whole nanoparticle are then described from both the population and the individual turnover frequency of each site. Under operating conditions, rhodium as a dopant is found to almost exclusively occupy (111) surface sites while palladium as a dopant occupies a greater variety of facets. Undercoordinated dopant surface sites are found to tend to be more reactive for propane dehydrogenation compared to the (111) surface. It is found that considering the dynamics of the single-atom alloy nanoparticle has a profound effect on the calculated catalytic activity of single-atom alloys by several orders of magnitude. acknowledgement: "B.C. acknowledges resources provided by the Cambridge Tier2 system operated by the University of Cambridge Research\r\nComputing Service funded by EPSRC Tier-2 capital grant EP/\r\nP020259/1." article_processing_charge: Yes (via OA deal) article_type: original author: - first_name: Rhys full_name: Bunting, Rhys id: 91deeae8-1207-11ec-b130-c194ad5b50c6 last_name: Bunting orcid: 0000-0001-6928-074X - first_name: Felix full_name: Wodaczek, Felix id: 8b4b6a9f-32b0-11ee-9fa8-bbe85e26258e last_name: Wodaczek orcid: 0009-0000-1457-795X - first_name: Tina full_name: Torabi, Tina last_name: Torabi - first_name: Bingqing full_name: Cheng, Bingqing id: cbe3cda4-d82c-11eb-8dc7-8ff94289fcc9 last_name: Cheng orcid: 0000-0002-3584-9632 citation: ama: 'Bunting R, Wodaczek F, Torabi T, Cheng B. Reactivity of single-atom alloy nanoparticles: Modeling the dehydrogenation of propane. Journal of the American Chemical Society. 2023;145(27):14894-14902. doi:10.1021/jacs.3c04030' apa: 'Bunting, R., Wodaczek, F., Torabi, T., & Cheng, B. (2023). Reactivity of single-atom alloy nanoparticles: Modeling the dehydrogenation of propane. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/jacs.3c04030' chicago: 'Bunting, Rhys, Felix Wodaczek, Tina Torabi, and Bingqing Cheng. “Reactivity of Single-Atom Alloy Nanoparticles: Modeling the Dehydrogenation of Propane.” Journal of the American Chemical Society. American Chemical Society, 2023. https://doi.org/10.1021/jacs.3c04030.' ieee: 'R. Bunting, F. Wodaczek, T. Torabi, and B. Cheng, “Reactivity of single-atom alloy nanoparticles: Modeling the dehydrogenation of propane,” Journal of the American Chemical Society, vol. 145, no. 27. American Chemical Society, pp. 14894–14902, 2023.' ista: 'Bunting R, Wodaczek F, Torabi T, Cheng B. 2023. Reactivity of single-atom alloy nanoparticles: Modeling the dehydrogenation of propane. Journal of the American Chemical Society. 145(27), 14894–14902.' mla: 'Bunting, Rhys, et al. “Reactivity of Single-Atom Alloy Nanoparticles: Modeling the Dehydrogenation of Propane.” Journal of the American Chemical Society, vol. 145, no. 27, American Chemical Society, 2023, pp. 14894–902, doi:10.1021/jacs.3c04030.' short: R. Bunting, F. Wodaczek, T. Torabi, B. Cheng, Journal of the American Chemical Society 145 (2023) 14894–14902. date_created: 2023-07-12T09:16:40Z date_published: 2023-06-30T00:00:00Z date_updated: 2023-10-11T08:45:10Z day: '30' ddc: - '540' department: - _id: MaIb - _id: BiCh doi: 10.1021/jacs.3c04030 external_id: isi: - '001020623900001' pmid: - '37390457' file: - access_level: open_access checksum: e07d5323f9c0e5cbd1ad6453f29440ab content_type: application/pdf creator: cchlebak date_created: 2023-07-12T10:22:04Z date_updated: 2023-07-12T10:22:04Z file_id: '13219' file_name: 2023_JACS_Bunting.pdf file_size: 3155843 relation: main_file success: 1 file_date_updated: 2023-07-12T10:22:04Z has_accepted_license: '1' intvolume: ' 145' isi: 1 issue: '27' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng license: https://creativecommons.org/licenses/by/4.0/ month: '06' oa: 1 oa_version: Published Version page: 14894-14902 pmid: 1 publication: Journal of the American Chemical Society publication_identifier: eissn: - 1520-5126 issn: - 0002-7863 publication_status: published publisher: American Chemical Society quality_controlled: '1' status: public title: 'Reactivity of single-atom alloy nanoparticles: Modeling the dehydrogenation of propane' tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 8b945eb4-e2f2-11eb-945a-df72226e66a9 volume: 145 year: '2023' ... --- _id: '13348' abstract: - lang: eng text: Molecular confinement effects can profoundly alter the physicochemical properties of the confined species. A plethora of organic molecules were encapsulated within the cavities of supramolecular hosts, and the impact of the cavity size and polarity was widely investigated. However, the extent to which the properties of the confined guests can be affected by the symmetry of the cage─which dictates the shape of the cavity─remains to be understood. Here we show that cage symmetry has a dramatic effect on the equilibrium between two isomers of the encapsulated spiropyran guests. Working with two Pd-based coordination cages featuring similarly sized but differently shaped hydrophobic cavities, we found a highly selective stabilization of the isomer whose shape matches that of the cavity of the cage. A Td-symmetric cage stabilized the spiropyrans’ colorless form and rendered them photochemically inert. In contrast, a D2h-symmetric cage favored the colored isomer, while maintaining reversible photoswitching between the two states of the encapsulated spiropyrans. We also show that the switching kinetics strongly depend on the substitution pattern on the spiropyran scaffold. This finding was used to fabricate a time-sensitive information storage medium with tunable lifetimes of the encoded messages. article_processing_charge: No article_type: original author: - first_name: Jinhua full_name: Wang, Jinhua last_name: Wang - first_name: Liat full_name: Avram, Liat last_name: Avram - first_name: Yael full_name: Diskin-Posner, Yael last_name: Diskin-Posner - first_name: Michał J. full_name: Białek, Michał J. last_name: Białek - first_name: Wojciech full_name: Stawski, Wojciech last_name: Stawski - first_name: Moran full_name: Feller, Moran last_name: Feller - first_name: Rafal full_name: Klajn, Rafal id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b last_name: Klajn citation: ama: Wang J, Avram L, Diskin-Posner Y, et al. Altering the properties of spiropyran switches using coordination cages with different symmetries. Journal of the American Chemical Society. 2022;144(46):21244-21254. doi:10.1021/jacs.2c08901 apa: Wang, J., Avram, L., Diskin-Posner, Y., Białek, M. J., Stawski, W., Feller, M., & Klajn, R. (2022). Altering the properties of spiropyran switches using coordination cages with different symmetries. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/jacs.2c08901 chicago: Wang, Jinhua, Liat Avram, Yael Diskin-Posner, Michał J. Białek, Wojciech Stawski, Moran Feller, and Rafal Klajn. “Altering the Properties of Spiropyran Switches Using Coordination Cages with Different Symmetries.” Journal of the American Chemical Society. American Chemical Society, 2022. https://doi.org/10.1021/jacs.2c08901. ieee: J. Wang et al., “Altering the properties of spiropyran switches using coordination cages with different symmetries,” Journal of the American Chemical Society, vol. 144, no. 46. American Chemical Society, pp. 21244–21254, 2022. ista: Wang J, Avram L, Diskin-Posner Y, Białek MJ, Stawski W, Feller M, Klajn R. 2022. Altering the properties of spiropyran switches using coordination cages with different symmetries. Journal of the American Chemical Society. 144(46), 21244–21254. mla: Wang, Jinhua, et al. “Altering the Properties of Spiropyran Switches Using Coordination Cages with Different Symmetries.” Journal of the American Chemical Society, vol. 144, no. 46, American Chemical Society, 2022, pp. 21244–54, doi:10.1021/jacs.2c08901. short: J. Wang, L. Avram, Y. Diskin-Posner, M.J. Białek, W. Stawski, M. Feller, R. Klajn, Journal of the American Chemical Society 144 (2022) 21244–21254. date_created: 2023-08-01T09:31:01Z date_published: 2022-11-15T00:00:00Z date_updated: 2023-08-02T06:39:50Z day: '15' doi: 10.1021/jacs.2c08901 extern: '1' intvolume: ' 144' issue: '46' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.1021/jacs.2c08901 month: '11' oa: 1 oa_version: Published Version page: 21244-21254 publication: Journal of the American Chemical Society publication_identifier: eissn: - 1520-5126 issn: - 0002-7863 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Altering the properties of spiropyran switches using coordination cages with different symmetries type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 144 year: '2022' ... --- _id: '13362' abstract: - lang: eng text: Aggregation of organic molecules can drastically affect their physicochemical properties. For instance, the optical properties of BODIPY dyes are inherently related to the degree of aggregation and the mutual orientation of BODIPY units within these aggregates. Whereas the noncovalent aggregation of various BODIPY dyes has been studied in diverse media, the ill-defined nature of these aggregates has made it difficult to elucidate the structure–property relationships. Here, we studied the encapsulation of three structurally simple BODIPY derivatives within the hydrophobic cavity of a water-soluble, flexible PdII6L4 coordination cage. The cavity size allowed for the selective encapsulation of two dye molecules, irrespective of the substitution pattern on the BODIPY core. Working with a model, a pentamethyl-substituted derivative, we found that the mutual orientation of two BODIPY units in the cage’s cavity was remarkably similar to that in the crystalline state of the free dye, allowing us to isolate and characterize the smallest possible noncovalent H-type BODIPY aggregate, namely, an H-dimer. Interestingly, a CF3-substituted BODIPY, known for forming J-type aggregates, was also encapsulated as an H-dimer. Taking advantage of the dynamic nature of encapsulation, we developed a system in which reversible switching between H- and J-aggregates can be induced for multiple cycles simply by addition and subsequent destruction of the cage. We expect that the ability to rapidly and reversibly manipulate the optical properties of supramolecular inclusion complexes in aqueous media will open up avenues for developing detection systems that operate within biological environments. article_processing_charge: No article_type: original author: - first_name: Julius full_name: Gemen, Julius last_name: Gemen - first_name: Johannes full_name: Ahrens, Johannes last_name: Ahrens - first_name: Linda J. W. full_name: Shimon, Linda J. W. last_name: Shimon - first_name: Rafal full_name: Klajn, Rafal id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b last_name: Klajn citation: ama: Gemen J, Ahrens J, Shimon LJW, Klajn R. Modulating the optical properties of BODIPY dyes by noncovalent dimerization within a flexible coordination cage. Journal of the American Chemical Society. 2020;142(41):17721-17729. doi:10.1021/jacs.0c08589 apa: Gemen, J., Ahrens, J., Shimon, L. J. W., & Klajn, R. (2020). Modulating the optical properties of BODIPY dyes by noncovalent dimerization within a flexible coordination cage. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/jacs.0c08589 chicago: Gemen, Julius, Johannes Ahrens, Linda J. W. Shimon, and Rafal Klajn. “Modulating the Optical Properties of BODIPY Dyes by Noncovalent Dimerization within a Flexible Coordination Cage.” Journal of the American Chemical Society. American Chemical Society, 2020. https://doi.org/10.1021/jacs.0c08589. ieee: J. Gemen, J. Ahrens, L. J. W. Shimon, and R. Klajn, “Modulating the optical properties of BODIPY dyes by noncovalent dimerization within a flexible coordination cage,” Journal of the American Chemical Society, vol. 142, no. 41. American Chemical Society, pp. 17721–17729, 2020. ista: Gemen J, Ahrens J, Shimon LJW, Klajn R. 2020. Modulating the optical properties of BODIPY dyes by noncovalent dimerization within a flexible coordination cage. Journal of the American Chemical Society. 142(41), 17721–17729. mla: Gemen, Julius, et al. “Modulating the Optical Properties of BODIPY Dyes by Noncovalent Dimerization within a Flexible Coordination Cage.” Journal of the American Chemical Society, vol. 142, no. 41, American Chemical Society, 2020, pp. 17721–29, doi:10.1021/jacs.0c08589. short: J. Gemen, J. Ahrens, L.J.W. Shimon, R. Klajn, Journal of the American Chemical Society 142 (2020) 17721–17729. date_created: 2023-08-01T09:36:10Z date_published: 2020-10-04T00:00:00Z date_updated: 2023-08-07T10:09:54Z day: '04' doi: 10.1021/jacs.0c08589 extern: '1' external_id: pmid: - '33006898' intvolume: ' 142' issue: '41' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.1021/jacs.0c08589 month: '10' oa: 1 oa_version: Published Version page: 17721-17729 pmid: 1 publication: Journal of the American Chemical Society publication_identifier: eissn: - 1520-5126 issn: - 0002-7863 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Modulating the optical properties of BODIPY dyes by noncovalent dimerization within a flexible coordination cage type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 142 year: '2020' ... --- _id: '13364' abstract: - lang: eng text: Photochromic molecules undergo reversible isomerization upon irradiation with light at different wavelengths, a process that can alter their physical and chemical properties. For instance, dihydropyrene (DHP) is a deep-colored compound that isomerizes to light-brown cyclophanediene (CPD) upon irradiation with visible light. CPD can then isomerize back to DHP upon irradiation with UV light or thermally in the dark. Conversion between DHP and CPD is thought to proceed via a biradical intermediate; bimolecular events involving this unstable intermediate thus result in rapid decomposition and poor cycling performance. Here, we show that the reversible isomerization of DHP can be stabilized upon confinement within a PdII6L4 coordination cage. By protecting this reactive intermediate using the cage, each isomerization reaction proceeds to higher yield, which significantly decreases the fatigue experienced by the system upon repeated photocycling. Although molecular confinement is known to help stabilize reactive species, this effect is not typically employed to protect reactive intermediates and thus improve reaction yields. We envisage that performing reactions under confinement will not only improve the cyclic performance of photochromic molecules, but may also increase the amount of product obtainable from traditionally low-yielding organic reactions. article_processing_charge: No article_type: original author: - first_name: Martina full_name: Canton, Martina last_name: Canton - first_name: Angela B. full_name: Grommet, Angela B. last_name: Grommet - first_name: Luca full_name: Pesce, Luca last_name: Pesce - first_name: Julius full_name: Gemen, Julius last_name: Gemen - first_name: Shiming full_name: Li, Shiming last_name: Li - first_name: Yael full_name: Diskin-Posner, Yael last_name: Diskin-Posner - first_name: Alberto full_name: Credi, Alberto last_name: Credi - first_name: Giovanni M. full_name: Pavan, Giovanni M. last_name: Pavan - first_name: Joakim full_name: Andréasson, Joakim last_name: Andréasson - first_name: Rafal full_name: Klajn, Rafal id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b last_name: Klajn citation: ama: Canton M, Grommet AB, Pesce L, et al. Improving fatigue resistance of dihydropyrene by encapsulation within a coordination cage. Journal of the American Chemical Society. 2020;142(34):14557-14565. doi:10.1021/jacs.0c06146 apa: Canton, M., Grommet, A. B., Pesce, L., Gemen, J., Li, S., Diskin-Posner, Y., … Klajn, R. (2020). Improving fatigue resistance of dihydropyrene by encapsulation within a coordination cage. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/jacs.0c06146 chicago: Canton, Martina, Angela B. Grommet, Luca Pesce, Julius Gemen, Shiming Li, Yael Diskin-Posner, Alberto Credi, Giovanni M. Pavan, Joakim Andréasson, and Rafal Klajn. “Improving Fatigue Resistance of Dihydropyrene by Encapsulation within a Coordination Cage.” Journal of the American Chemical Society. American Chemical Society, 2020. https://doi.org/10.1021/jacs.0c06146. ieee: M. Canton et al., “Improving fatigue resistance of dihydropyrene by encapsulation within a coordination cage,” Journal of the American Chemical Society, vol. 142, no. 34. American Chemical Society, pp. 14557–14565, 2020. ista: Canton M, Grommet AB, Pesce L, Gemen J, Li S, Diskin-Posner Y, Credi A, Pavan GM, Andréasson J, Klajn R. 2020. Improving fatigue resistance of dihydropyrene by encapsulation within a coordination cage. Journal of the American Chemical Society. 142(34), 14557–14565. mla: Canton, Martina, et al. “Improving Fatigue Resistance of Dihydropyrene by Encapsulation within a Coordination Cage.” Journal of the American Chemical Society, vol. 142, no. 34, American Chemical Society, 2020, pp. 14557–65, doi:10.1021/jacs.0c06146. short: M. Canton, A.B. Grommet, L. Pesce, J. Gemen, S. Li, Y. Diskin-Posner, A. Credi, G.M. Pavan, J. Andréasson, R. Klajn, Journal of the American Chemical Society 142 (2020) 14557–14565. date_created: 2023-08-01T09:36:59Z date_published: 2020-08-14T00:00:00Z date_updated: 2023-08-07T10:15:38Z day: '14' doi: 10.1021/jacs.0c06146 extern: '1' external_id: pmid: - '32791832' intvolume: ' 142' issue: '34' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.1021/jacs.0c06146 month: '08' oa: 1 oa_version: Published Version page: 14557-14565 pmid: 1 publication: Journal of the American Chemical Society publication_identifier: eissn: - 1520-5126 issn: - 0002-7863 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Improving fatigue resistance of dihydropyrene by encapsulation within a coordination cage type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 142 year: '2020' ... --- _id: '13365' abstract: - lang: eng text: Photoswitchable molecules are employed for many applications, from the development of active materials to the design of stimuli-responsive molecular systems and light-powered molecular machines. To fully exploit their potential, we must learn ways to control the mechanism and kinetics of their photoinduced isomerization. One possible strategy involves confinement of photoresponsive switches such as azobenzenes or spiropyrans within crowded molecular environments, which may allow control over their light-induced conversion. However, the molecular factors that influence and control the switching process under realistic conditions and within dynamic molecular regimes often remain difficult to ascertain. As a case study, here we have employed molecular models to probe the isomerization of azobenzene guests within a Pd(II)-based coordination cage host in water. Atomistic molecular dynamics and metadynamics simulations allow us to characterize the flexibility of the cage in the solvent, the (rare) guest encapsulation and release events, and the relative probability/kinetics of light-induced isomerization of azobenzene analogues in these host–guest systems. In this way, we can reconstruct the mechanism of azobenzene switching inside the cage cavity and explore key molecular factors that may control this event. We obtain a molecular-level insight on the effects of crowding and host–guest interactions on azobenzene isomerization. The detailed picture elucidated by this study may enable the rational design of photoswitchable systems whose reactivity can be controlled via host–guest interactions. article_processing_charge: No article_type: original author: - first_name: Luca full_name: Pesce, Luca last_name: Pesce - first_name: Claudio full_name: Perego, Claudio last_name: Perego - first_name: Angela B. full_name: Grommet, Angela B. last_name: Grommet - first_name: Rafal full_name: Klajn, Rafal id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b last_name: Klajn - first_name: Giovanni M. full_name: Pavan, Giovanni M. last_name: Pavan citation: ama: Pesce L, Perego C, Grommet AB, Klajn R, Pavan GM. Molecular factors controlling the isomerization of Azobenzenes in the cavity of a flexible coordination cage. Journal of the American Chemical Society. 2020;142(21):9792-9802. doi:10.1021/jacs.0c03444 apa: Pesce, L., Perego, C., Grommet, A. B., Klajn, R., & Pavan, G. M. (2020). Molecular factors controlling the isomerization of Azobenzenes in the cavity of a flexible coordination cage. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/jacs.0c03444 chicago: Pesce, Luca, Claudio Perego, Angela B. Grommet, Rafal Klajn, and Giovanni M. Pavan. “Molecular Factors Controlling the Isomerization of Azobenzenes in the Cavity of a Flexible Coordination Cage.” Journal of the American Chemical Society. American Chemical Society, 2020. https://doi.org/10.1021/jacs.0c03444. ieee: L. Pesce, C. Perego, A. B. Grommet, R. Klajn, and G. M. Pavan, “Molecular factors controlling the isomerization of Azobenzenes in the cavity of a flexible coordination cage,” Journal of the American Chemical Society, vol. 142, no. 21. American Chemical Society, pp. 9792–9802, 2020. ista: Pesce L, Perego C, Grommet AB, Klajn R, Pavan GM. 2020. Molecular factors controlling the isomerization of Azobenzenes in the cavity of a flexible coordination cage. Journal of the American Chemical Society. 142(21), 9792–9802. mla: Pesce, Luca, et al. “Molecular Factors Controlling the Isomerization of Azobenzenes in the Cavity of a Flexible Coordination Cage.” Journal of the American Chemical Society, vol. 142, no. 21, American Chemical Society, 2020, pp. 9792–802, doi:10.1021/jacs.0c03444. short: L. Pesce, C. Perego, A.B. Grommet, R. Klajn, G.M. Pavan, Journal of the American Chemical Society 142 (2020) 9792–9802. date_created: 2023-08-01T09:37:12Z date_published: 2020-04-30T00:00:00Z date_updated: 2023-08-07T10:18:53Z day: '30' doi: 10.1021/jacs.0c03444 extern: '1' external_id: pmid: - '32353237' intvolume: ' 142' issue: '21' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.1021/jacs.0c03444 month: '04' oa: 1 oa_version: Published Version page: 9792-9802 pmid: 1 publication: Journal of the American Chemical Society publication_identifier: eissn: - 1520-5126 issn: - 0002-7863 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Molecular factors controlling the isomerization of Azobenzenes in the cavity of a flexible coordination cage type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 142 year: '2020' ... --- _id: '8413' abstract: - lang: eng text: NMR relaxation dispersion methods provide a holistic way to observe microsecond time-scale protein backbone motion both in solution and in the solid state. Different nuclei (1H and 15N) and different relaxation dispersion techniques (Bloch–McConnell and near-rotary-resonance) give complementary information about the amplitudes and time scales of the conformational dynamics and provide comprehensive insights into the mechanistic details of the structural rearrangements. In this paper, we exemplify the benefits of the combination of various solution- and solid-state relaxation dispersion methods on a microcrystalline protein (α-spectrin SH3 domain), for which we are able to identify and model the functionally relevant conformational rearrangements around the ligand recognition loop occurring on multiple microsecond time scales. The observed loop motions suggest that the SH3 domain exists in a binding-competent conformation in dynamic equilibrium with a sterically impaired ground-state conformation both in solution and in crystalline form. This inherent plasticity between the interconverting macrostates is compatible with a conformational-preselection model and provides new insights into the recognition mechanisms of SH3 domains. article_processing_charge: No article_type: original author: - first_name: Petra full_name: Rovó, Petra last_name: Rovó - first_name: Colin A. full_name: Smith, Colin A. last_name: Smith - first_name: Diego full_name: Gauto, Diego last_name: Gauto - first_name: Bert L. full_name: de Groot, Bert L. last_name: de Groot - first_name: Paul full_name: Schanda, Paul id: 7B541462-FAF6-11E9-A490-E8DFE5697425 last_name: Schanda orcid: 0000-0002-9350-7606 - first_name: Rasmus full_name: Linser, Rasmus last_name: Linser citation: ama: Rovó P, Smith CA, Gauto D, de Groot BL, Schanda P, Linser R. Mechanistic insights into microsecond time-scale motion of solid proteins using complementary 15N and 1H relaxation dispersion techniques. Journal of the American Chemical Society. 2019;141(2):858-869. doi:10.1021/jacs.8b09258 apa: Rovó, P., Smith, C. A., Gauto, D., de Groot, B. L., Schanda, P., & Linser, R. (2019). Mechanistic insights into microsecond time-scale motion of solid proteins using complementary 15N and 1H relaxation dispersion techniques. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/jacs.8b09258 chicago: Rovó, Petra, Colin A. Smith, Diego Gauto, Bert L. de Groot, Paul Schanda, and Rasmus Linser. “Mechanistic Insights into Microsecond Time-Scale Motion of Solid Proteins Using Complementary 15N and 1H Relaxation Dispersion Techniques.” Journal of the American Chemical Society. American Chemical Society, 2019. https://doi.org/10.1021/jacs.8b09258. ieee: P. Rovó, C. A. Smith, D. Gauto, B. L. de Groot, P. Schanda, and R. Linser, “Mechanistic insights into microsecond time-scale motion of solid proteins using complementary 15N and 1H relaxation dispersion techniques,” Journal of the American Chemical Society, vol. 141, no. 2. American Chemical Society, pp. 858–869, 2019. ista: Rovó P, Smith CA, Gauto D, de Groot BL, Schanda P, Linser R. 2019. Mechanistic insights into microsecond time-scale motion of solid proteins using complementary 15N and 1H relaxation dispersion techniques. Journal of the American Chemical Society. 141(2), 858–869. mla: Rovó, Petra, et al. “Mechanistic Insights into Microsecond Time-Scale Motion of Solid Proteins Using Complementary 15N and 1H Relaxation Dispersion Techniques.” Journal of the American Chemical Society, vol. 141, no. 2, American Chemical Society, 2019, pp. 858–69, doi:10.1021/jacs.8b09258. short: P. Rovó, C.A. Smith, D. Gauto, B.L. de Groot, P. Schanda, R. Linser, Journal of the American Chemical Society 141 (2019) 858–869. date_created: 2020-09-17T10:29:50Z date_published: 2019-01-08T00:00:00Z date_updated: 2021-01-12T08:19:07Z day: '08' doi: 10.1021/jacs.8b09258 extern: '1' external_id: pmid: - '30620186' intvolume: ' 141' issue: '2' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng month: '01' oa_version: Submitted Version page: 858-869 pmid: 1 publication: Journal of the American Chemical Society publication_identifier: issn: - 0002-7863 - 1520-5126 publication_status: published publisher: American Chemical Society quality_controlled: '1' status: public title: Mechanistic insights into microsecond time-scale motion of solid proteins using complementary 15N and 1H relaxation dispersion techniques type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 141 year: '2019' ... --- _id: '8408' abstract: - lang: eng text: Aromatic residues are located at structurally important sites of many proteins. Probing their interactions and dynamics can provide important functional insight but is challenging in large proteins. Here, we introduce approaches to characterize dynamics of phenylalanine residues using 1H-detected fast magic-angle spinning (MAS) NMR combined with a tailored isotope-labeling scheme. Our approach yields isolated two-spin systems that are ideally suited for artefact-free dynamics measurements, and allows probing motions effectively without molecular-weight limitations. The application to the TET2 enzyme assembly of ~0.5 MDa size, the currently largest protein assigned by MAS NMR, provides insights into motions occurring on a wide range of time scales (ps-ms). We quantitatively probe ring flip motions, and show the temperature dependence by MAS NMR measurements down to 100 K. Interestingly, favorable line widths are observed down to 100 K, with potential implications for DNP NMR. Furthermore, we report the first 13C R1ρ MAS NMR relaxation-dispersion measurements and detect structural excursions occurring on a microsecond time scale in the entry pore to the catalytic chamber and at a trimer interface that was proposed as exit pore. We show that the labeling scheme with deuteration at ca. 50 kHz MAS provides superior resolution compared to 100 kHz MAS experiments with protonated, uniformly 13C-labeled samples. article_processing_charge: No article_type: original author: - first_name: Diego F. full_name: Gauto, Diego F. last_name: Gauto - first_name: Pavel full_name: Macek, Pavel last_name: Macek - first_name: Alessandro full_name: Barducci, Alessandro last_name: Barducci - first_name: Hugo full_name: Fraga, Hugo last_name: Fraga - first_name: Audrey full_name: Hessel, Audrey last_name: Hessel - first_name: Tsutomu full_name: Terauchi, Tsutomu last_name: Terauchi - first_name: David full_name: Gajan, David last_name: Gajan - first_name: Yohei full_name: Miyanoiri, Yohei last_name: Miyanoiri - first_name: Jerome full_name: Boisbouvier, Jerome last_name: Boisbouvier - first_name: Roman full_name: Lichtenecker, Roman last_name: Lichtenecker - first_name: Masatsune full_name: Kainosho, Masatsune last_name: Kainosho - first_name: Paul full_name: Schanda, Paul id: 7B541462-FAF6-11E9-A490-E8DFE5697425 last_name: Schanda orcid: 0000-0002-9350-7606 citation: ama: Gauto DF, Macek P, Barducci A, et al. Aromatic ring dynamics, thermal activation, and transient conformations of a 468 kDa enzyme by specific 1H–13C labeling and fast magic-angle spinning NMR. Journal of the American Chemical Society. 2019;141(28):11183-11195. doi:10.1021/jacs.9b04219 apa: Gauto, D. F., Macek, P., Barducci, A., Fraga, H., Hessel, A., Terauchi, T., … Schanda, P. (2019). Aromatic ring dynamics, thermal activation, and transient conformations of a 468 kDa enzyme by specific 1H–13C labeling and fast magic-angle spinning NMR. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/jacs.9b04219 chicago: Gauto, Diego F., Pavel Macek, Alessandro Barducci, Hugo Fraga, Audrey Hessel, Tsutomu Terauchi, David Gajan, et al. “Aromatic Ring Dynamics, Thermal Activation, and Transient Conformations of a 468 KDa Enzyme by Specific 1H–13C Labeling and Fast Magic-Angle Spinning NMR.” Journal of the American Chemical Society. American Chemical Society, 2019. https://doi.org/10.1021/jacs.9b04219. ieee: D. F. Gauto et al., “Aromatic ring dynamics, thermal activation, and transient conformations of a 468 kDa enzyme by specific 1H–13C labeling and fast magic-angle spinning NMR,” Journal of the American Chemical Society, vol. 141, no. 28. American Chemical Society, pp. 11183–11195, 2019. ista: Gauto DF, Macek P, Barducci A, Fraga H, Hessel A, Terauchi T, Gajan D, Miyanoiri Y, Boisbouvier J, Lichtenecker R, Kainosho M, Schanda P. 2019. Aromatic ring dynamics, thermal activation, and transient conformations of a 468 kDa enzyme by specific 1H–13C labeling and fast magic-angle spinning NMR. Journal of the American Chemical Society. 141(28), 11183–11195. mla: Gauto, Diego F., et al. “Aromatic Ring Dynamics, Thermal Activation, and Transient Conformations of a 468 KDa Enzyme by Specific 1H–13C Labeling and Fast Magic-Angle Spinning NMR.” Journal of the American Chemical Society, vol. 141, no. 28, American Chemical Society, 2019, pp. 11183–95, doi:10.1021/jacs.9b04219. short: D.F. Gauto, P. Macek, A. Barducci, H. Fraga, A. Hessel, T. Terauchi, D. Gajan, Y. Miyanoiri, J. Boisbouvier, R. Lichtenecker, M. Kainosho, P. Schanda, Journal of the American Chemical Society 141 (2019) 11183–11195. date_created: 2020-09-17T10:29:00Z date_published: 2019-06-14T00:00:00Z date_updated: 2021-01-12T08:19:04Z day: '14' doi: 10.1021/jacs.9b04219 extern: '1' external_id: pmid: - '31199882' intvolume: ' 141' issue: '28' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng month: '06' oa_version: Submitted Version page: 11183-11195 pmid: 1 publication: Journal of the American Chemical Society publication_identifier: issn: - 0002-7863 - 1520-5126 publication_status: published publisher: American Chemical Society quality_controlled: '1' status: public title: Aromatic ring dynamics, thermal activation, and transient conformations of a 468 kDa enzyme by specific 1H–13C labeling and fast magic-angle spinning NMR type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 141 year: '2019' ... --- _id: '13373' abstract: - lang: eng text: The reversible photoisomerization of azobenzene has been utilized to construct a plethora of systems in which optical, electronic, catalytic, and other properties can be controlled by light. However, owing to azobenzene’s hydrophobic nature, most of these examples have been realized only in organic solvents, and systems operating in water are relatively scarce. Here, we show that by coadsorbing the inherently hydrophobic azobenzenes with water-solubilizing ligands on the same nanoparticulate platforms, it is possible to render them essentially water-soluble. To this end, we developed a modified nanoparticle functionalization procedure allowing us to precisely fine-tune the amount of azobenzene on the functionalized nanoparticles. Molecular dynamics simulations helped us to identify two distinct supramolecular architectures (depending on the length of the background ligand) on these nanoparticles, which can explain their excellent aqueous solubilities. Azobenzenes adsorbed on these water-soluble nanoparticles exhibit highly reversible photoisomerization upon exposure to UV and visible light. Importantly, the mixed-monolayer approach allowed us to systematically investigate how the background ligand affects the switching properties of azobenzene. We found that the nature of the background ligand has a profound effect on the kinetics of azobenzene switching. For example, a hydroxy-terminated background ligand is capable of accelerating the back-isomerization reaction by more than 6000-fold. These results pave the way toward the development of novel light-responsive nanomaterials operating in aqueous media and, in the long run, in biological environments. article_processing_charge: No article_type: original author: - first_name: Zonglin full_name: Chu, Zonglin last_name: Chu - first_name: Yanxiao full_name: Han, Yanxiao last_name: Han - first_name: Tong full_name: Bian, Tong last_name: Bian - first_name: Soumen full_name: De, Soumen last_name: De - first_name: Petr full_name: Král, Petr last_name: Král - first_name: Rafal full_name: Klajn, Rafal id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b last_name: Klajn citation: ama: Chu Z, Han Y, Bian T, De S, Král P, Klajn R. Supramolecular control of azobenzene switching on nanoparticles. Journal of the American Chemical Society. 2019;141(5):1949-1960. doi:10.1021/jacs.8b09638 apa: Chu, Z., Han, Y., Bian, T., De, S., Král, P., & Klajn, R. (2019). Supramolecular control of azobenzene switching on nanoparticles. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/jacs.8b09638 chicago: Chu, Zonglin, Yanxiao Han, Tong Bian, Soumen De, Petr Král, and Rafal Klajn. “Supramolecular Control of Azobenzene Switching on Nanoparticles.” Journal of the American Chemical Society. American Chemical Society, 2019. https://doi.org/10.1021/jacs.8b09638. ieee: Z. Chu, Y. Han, T. Bian, S. De, P. Král, and R. Klajn, “Supramolecular control of azobenzene switching on nanoparticles,” Journal of the American Chemical Society, vol. 141, no. 5. American Chemical Society, pp. 1949–1960, 2019. ista: Chu Z, Han Y, Bian T, De S, Král P, Klajn R. 2019. Supramolecular control of azobenzene switching on nanoparticles. Journal of the American Chemical Society. 141(5), 1949–1960. mla: Chu, Zonglin, et al. “Supramolecular Control of Azobenzene Switching on Nanoparticles.” Journal of the American Chemical Society, vol. 141, no. 5, American Chemical Society, 2019, pp. 1949–60, doi:10.1021/jacs.8b09638. short: Z. Chu, Y. Han, T. Bian, S. De, P. Král, R. Klajn, Journal of the American Chemical Society 141 (2019) 1949–1960. date_created: 2023-08-01T09:39:19Z date_published: 2019-02-06T00:00:00Z date_updated: 2023-08-07T10:51:12Z day: '06' doi: 10.1021/jacs.8b09638 extern: '1' external_id: pmid: - '30595017' intvolume: ' 141' issue: '5' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng month: '02' oa_version: Published Version page: 1949-1960 pmid: 1 publication: Journal of the American Chemical Society publication_identifier: eissn: - 1520-5126 issn: - 0002-7863 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Supramolecular control of azobenzene switching on nanoparticles type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 141 year: '2019' ... --- _id: '13380' abstract: - lang: eng text: Although dissipative self-assembly is ubiquitous in nature, where it gives rise to structures and functions critical to life, examples of artificial systems featuring this mode of self-assembly are rare. Here, we identify the presence of ephemeral assemblies during seeded growth of gold nanoparticles. In this process, hydrazine reduces Au(III) ions, which attach to the existing nanoparticles “seeds”. The attachment is accompanied by a local increase in the concentration of a surfactant, which therefore forms a bilayer on nanoparticle surfaces, inducing their assembly. The resulting aggregates gradually disassemble as the surfactant concentration throughout the solution equilibrates. The lifetimes of the out-of-equilibrium aggregates depend on and can be controlled by the size of the constituent nanoparticles. We demonstrate the utility of our out-of-equilibrium aggregates to form transient reflective coatings on polar surfaces. article_processing_charge: No article_type: original author: - first_name: Michał full_name: Sawczyk, Michał last_name: Sawczyk - first_name: Rafal full_name: Klajn, Rafal id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b last_name: Klajn citation: ama: Sawczyk M, Klajn R. Out-of-equilibrium aggregates and coatings during seeded growth of metallic nanoparticles. Journal of the American Chemical Society. 2017;139(49):17973-17978. doi:10.1021/jacs.7b09111 apa: Sawczyk, M., & Klajn, R. (2017). Out-of-equilibrium aggregates and coatings during seeded growth of metallic nanoparticles. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/jacs.7b09111 chicago: Sawczyk, Michał, and Rafal Klajn. “Out-of-Equilibrium Aggregates and Coatings during Seeded Growth of Metallic Nanoparticles.” Journal of the American Chemical Society. American Chemical Society, 2017. https://doi.org/10.1021/jacs.7b09111. ieee: M. Sawczyk and R. Klajn, “Out-of-equilibrium aggregates and coatings during seeded growth of metallic nanoparticles,” Journal of the American Chemical Society, vol. 139, no. 49. American Chemical Society, pp. 17973–17978, 2017. ista: Sawczyk M, Klajn R. 2017. Out-of-equilibrium aggregates and coatings during seeded growth of metallic nanoparticles. Journal of the American Chemical Society. 139(49), 17973–17978. mla: Sawczyk, Michał, and Rafal Klajn. “Out-of-Equilibrium Aggregates and Coatings during Seeded Growth of Metallic Nanoparticles.” Journal of the American Chemical Society, vol. 139, no. 49, American Chemical Society, 2017, pp. 17973–78, doi:10.1021/jacs.7b09111. short: M. Sawczyk, R. Klajn, Journal of the American Chemical Society 139 (2017) 17973–17978. date_created: 2023-08-01T09:41:01Z date_published: 2017-12-01T00:00:00Z date_updated: 2023-08-07T11:19:30Z day: '01' doi: 10.1021/jacs.7b09111 extern: '1' external_id: pmid: - '29193964' intvolume: ' 139' issue: '49' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng month: '12' oa_version: None page: 17973-17978 pmid: 1 publication: Journal of the American Chemical Society publication_identifier: eissn: - 1520-5126 issn: - 0002-7863 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Out-of-equilibrium aggregates and coatings during seeded growth of metallic nanoparticles type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 139 year: '2017' ... --- _id: '13401' abstract: - lang: eng text: A compound combining the features of a molecular rotor and a photoswitch was synthesized and was shown to exist as three diastereomers, which interconvert via a reversible cyclic reaction scheme. Each of the three diastereomers was isolated, and by following the equilibration kinetics, activation barriers for all reactions were calculated. The results indicate that the properties of molecular switches depend heavily on their immediate chemical environment. The conclusions are important in the context of designing new switchable molecules and materials. article_processing_charge: No article_type: original author: - first_name: Pintu K. full_name: Kundu, Pintu K. last_name: Kundu - first_name: Avishai full_name: Lerner, Avishai last_name: Lerner - first_name: Kristina full_name: Kučanda, Kristina last_name: Kučanda - first_name: Gregory full_name: Leitus, Gregory last_name: Leitus - first_name: Rafal full_name: Klajn, Rafal id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b last_name: Klajn citation: ama: Kundu PK, Lerner A, Kučanda K, Leitus G, Klajn R. Cyclic kinetics during thermal equilibration of an axially chiral bis-spiropyran. Journal of the American Chemical Society. 2014;136(32):11276-11279. doi:10.1021/ja505948q apa: Kundu, P. K., Lerner, A., Kučanda, K., Leitus, G., & Klajn, R. (2014). Cyclic kinetics during thermal equilibration of an axially chiral bis-spiropyran. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/ja505948q chicago: Kundu, Pintu K., Avishai Lerner, Kristina Kučanda, Gregory Leitus, and Rafal Klajn. “Cyclic Kinetics during Thermal Equilibration of an Axially Chiral Bis-Spiropyran.” Journal of the American Chemical Society. American Chemical Society, 2014. https://doi.org/10.1021/ja505948q. ieee: P. K. Kundu, A. Lerner, K. Kučanda, G. Leitus, and R. Klajn, “Cyclic kinetics during thermal equilibration of an axially chiral bis-spiropyran,” Journal of the American Chemical Society, vol. 136, no. 32. American Chemical Society, pp. 11276–11279, 2014. ista: Kundu PK, Lerner A, Kučanda K, Leitus G, Klajn R. 2014. Cyclic kinetics during thermal equilibration of an axially chiral bis-spiropyran. Journal of the American Chemical Society. 136(32), 11276–11279. mla: Kundu, Pintu K., et al. “Cyclic Kinetics during Thermal Equilibration of an Axially Chiral Bis-Spiropyran.” Journal of the American Chemical Society, vol. 136, no. 32, American Chemical Society, 2014, pp. 11276–79, doi:10.1021/ja505948q. short: P.K. Kundu, A. Lerner, K. Kučanda, G. Leitus, R. Klajn, Journal of the American Chemical Society 136 (2014) 11276–11279. date_created: 2023-08-01T09:46:12Z date_published: 2014-08-13T00:00:00Z date_updated: 2023-08-08T07:25:37Z day: '13' doi: 10.1021/ja505948q extern: '1' external_id: pmid: - '25072292' intvolume: ' 136' issue: '32' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng month: '08' oa_version: None page: 11276-11279 pmid: 1 publication: Journal of the American Chemical Society publication_identifier: eissn: - 1520-5126 issn: - 0002-7863 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Cyclic kinetics during thermal equilibration of an axially chiral bis-spiropyran type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 136 year: '2014' ... --- _id: '13403' abstract: - lang: eng text: We show that bimolecular reactions between species confined to the surfaces of nanoparticles can be manipulated by the nature of the linker, as well as by the curvature of the underlying particles. article_processing_charge: No article_type: original author: - first_name: Tino full_name: Zdobinsky, Tino last_name: Zdobinsky - first_name: Pradipta full_name: Sankar Maiti, Pradipta last_name: Sankar Maiti - first_name: Rafal full_name: Klajn, Rafal id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b last_name: Klajn citation: ama: Zdobinsky T, Sankar Maiti P, Klajn R. Support curvature and conformational freedom control chemical reactivity of immobilized species. Journal of the American Chemical Society. 2014;136(7):2711-2714. doi:10.1021/ja411573a apa: Zdobinsky, T., Sankar Maiti, P., & Klajn, R. (2014). Support curvature and conformational freedom control chemical reactivity of immobilized species. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/ja411573a chicago: Zdobinsky, Tino, Pradipta Sankar Maiti, and Rafal Klajn. “Support Curvature and Conformational Freedom Control Chemical Reactivity of Immobilized Species.” Journal of the American Chemical Society. American Chemical Society, 2014. https://doi.org/10.1021/ja411573a. ieee: T. Zdobinsky, P. Sankar Maiti, and R. Klajn, “Support curvature and conformational freedom control chemical reactivity of immobilized species,” Journal of the American Chemical Society, vol. 136, no. 7. American Chemical Society, pp. 2711–2714, 2014. ista: Zdobinsky T, Sankar Maiti P, Klajn R. 2014. Support curvature and conformational freedom control chemical reactivity of immobilized species. Journal of the American Chemical Society. 136(7), 2711–2714. mla: Zdobinsky, Tino, et al. “Support Curvature and Conformational Freedom Control Chemical Reactivity of Immobilized Species.” Journal of the American Chemical Society, vol. 136, no. 7, American Chemical Society, 2014, pp. 2711–14, doi:10.1021/ja411573a. short: T. Zdobinsky, P. Sankar Maiti, R. Klajn, Journal of the American Chemical Society 136 (2014) 2711–2714. date_created: 2023-08-01T09:46:44Z date_published: 2014-02-19T00:00:00Z date_updated: 2023-08-08T07:32:11Z day: '19' doi: 10.1021/ja411573a extern: '1' external_id: pmid: - '24320557' intvolume: ' 136' issue: '7' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng month: '02' oa_version: None page: 2711-2714 pmid: 1 publication: Journal of the American Chemical Society publication_identifier: eissn: - 1520-5126 issn: - 0002-7863 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Support curvature and conformational freedom control chemical reactivity of immobilized species type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 136 year: '2014' ... --- _id: '9167' abstract: - lang: eng text: We introduce a self-propelled colloidal hematite docker that can be steered to a small particle cargo many times its size, dock, transport the cargo to a remote location, and then release it. The self-propulsion and docking are reversible and activated by visible light. The docker can be steered either by a weak uniform magnetic field or by nanoscale tracks in a textured substrate. The light-activated motion and docking originate from osmotic/phoretic particle transport in a concentration gradient of fuel, hydrogen peroxide, induced by the photocatalytic activity of the hematite. The docking mechanism is versatile and can be applied to various materials and shapes. The hematite dockers are simple single-component particles and are synthesized in bulk quantities. This system opens up new possibilities for designing complex micrometer-size factories as well as new biomimetic systems. article_processing_charge: No article_type: original author: - first_name: Jérémie A full_name: Palacci, Jérémie A id: 8fb92548-2b22-11eb-b7c1-a3f0d08d7c7d last_name: Palacci orcid: 0000-0002-7253-9465 - first_name: Stefano full_name: Sacanna, Stefano last_name: Sacanna - first_name: Adrian full_name: Vatchinsky, Adrian last_name: Vatchinsky - first_name: Paul M. full_name: Chaikin, Paul M. last_name: Chaikin - first_name: David J. full_name: Pine, David J. last_name: Pine citation: ama: Palacci JA, Sacanna S, Vatchinsky A, Chaikin PM, Pine DJ. Photoactivated colloidal dockers for cargo transportation. Journal of the American Chemical Society. 2013;135(43):15978-15981. doi:10.1021/ja406090s apa: Palacci, J. A., Sacanna, S., Vatchinsky, A., Chaikin, P. M., & Pine, D. J. (2013). Photoactivated colloidal dockers for cargo transportation. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/ja406090s chicago: Palacci, Jérémie A, Stefano Sacanna, Adrian Vatchinsky, Paul M. Chaikin, and David J. Pine. “Photoactivated Colloidal Dockers for Cargo Transportation.” Journal of the American Chemical Society. American Chemical Society, 2013. https://doi.org/10.1021/ja406090s. ieee: J. A. Palacci, S. Sacanna, A. Vatchinsky, P. M. Chaikin, and D. J. Pine, “Photoactivated colloidal dockers for cargo transportation,” Journal of the American Chemical Society, vol. 135, no. 43. American Chemical Society, pp. 15978–15981, 2013. ista: Palacci JA, Sacanna S, Vatchinsky A, Chaikin PM, Pine DJ. 2013. Photoactivated colloidal dockers for cargo transportation. Journal of the American Chemical Society. 135(43), 15978–15981. mla: Palacci, Jérémie A., et al. “Photoactivated Colloidal Dockers for Cargo Transportation.” Journal of the American Chemical Society, vol. 135, no. 43, American Chemical Society, 2013, pp. 15978–81, doi:10.1021/ja406090s. short: J.A. Palacci, S. Sacanna, A. Vatchinsky, P.M. Chaikin, D.J. Pine, Journal of the American Chemical Society 135 (2013) 15978–15981. date_created: 2021-02-18T14:31:26Z date_published: 2013-10-30T00:00:00Z date_updated: 2021-02-22T10:10:41Z day: '30' doi: 10.1021/ja406090s extern: '1' external_id: arxiv: - '1310.5724' pmid: - '24131488' intvolume: ' 135' issue: '43' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng main_file_link: - open_access: '1' url: https://arxiv.org/abs/1310.5724 month: '10' oa: 1 oa_version: Preprint page: 15978-15981 pmid: 1 publication: Journal of the American Chemical Society publication_identifier: eissn: - '15205126' issn: - '00027863' publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Photoactivated colloidal dockers for cargo transportation type: journal_article user_id: D865714E-FA4E-11E9-B85B-F5C5E5697425 volume: 135 year: '2013' ... --- _id: '13407' abstract: - lang: eng text: We show that diamagnetic particles can be remotely manipulated by a magnet by the reversible adsorption of dual-responsive, light-switchable/superparamagnetic nanoparticles down to their surface. Adsorption occurs upon exposure to UV light, and can be reversed thermally or by ambient light. The dynamic self-assembly of thin films of the dual-responsive nanoparticles induces attractive interactions between diamagnetic particles. We demonstrate that catalytic amounts of the dual-responsive nanoparticles are sufficient to magnetically guide and deliver the diamagnetic particles to desired locations, where they can then be released by disassembling the dynamic layers of superparamagnetic nanoparticles with visible light. article_processing_charge: No article_type: original author: - first_name: Olga full_name: Chovnik, Olga last_name: Chovnik - first_name: Renata full_name: Balgley, Renata last_name: Balgley - first_name: Joel R. full_name: Goldman, Joel R. last_name: Goldman - first_name: Rafal full_name: Klajn, Rafal id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b last_name: Klajn citation: ama: Chovnik O, Balgley R, Goldman JR, Klajn R. Dynamically self-assembling carriers enable guiding of diamagnetic particles by weak magnets. Journal of the American Chemical Society. 2012;134(48):19564-19567. doi:10.1021/ja309633v apa: Chovnik, O., Balgley, R., Goldman, J. R., & Klajn, R. (2012). Dynamically self-assembling carriers enable guiding of diamagnetic particles by weak magnets. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/ja309633v chicago: Chovnik, Olga, Renata Balgley, Joel R. Goldman, and Rafal Klajn. “Dynamically Self-Assembling Carriers Enable Guiding of Diamagnetic Particles by Weak Magnets.” Journal of the American Chemical Society. American Chemical Society, 2012. https://doi.org/10.1021/ja309633v. ieee: O. Chovnik, R. Balgley, J. R. Goldman, and R. Klajn, “Dynamically self-assembling carriers enable guiding of diamagnetic particles by weak magnets,” Journal of the American Chemical Society, vol. 134, no. 48. American Chemical Society, pp. 19564–19567, 2012. ista: Chovnik O, Balgley R, Goldman JR, Klajn R. 2012. Dynamically self-assembling carriers enable guiding of diamagnetic particles by weak magnets. Journal of the American Chemical Society. 134(48), 19564–19567. mla: Chovnik, Olga, et al. “Dynamically Self-Assembling Carriers Enable Guiding of Diamagnetic Particles by Weak Magnets.” Journal of the American Chemical Society, vol. 134, no. 48, American Chemical Society, 2012, pp. 19564–67, doi:10.1021/ja309633v. short: O. Chovnik, R. Balgley, J.R. Goldman, R. Klajn, Journal of the American Chemical Society 134 (2012) 19564–19567. date_created: 2023-08-01T09:47:42Z date_published: 2012-11-26T00:00:00Z date_updated: 2023-08-08T07:51:10Z day: '26' doi: 10.1021/ja309633v extern: '1' external_id: pmid: - '23181449' intvolume: ' 134' issue: '48' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng month: '11' oa_version: Published Version page: 19564-19567 pmid: 1 publication: Journal of the American Chemical Society publication_identifier: eissn: - 1520-5126 issn: - 0002-7863 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Dynamically self-assembling carriers enable guiding of diamagnetic particles by weak magnets type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 134 year: '2012' ... --- _id: '13410' abstract: - lang: eng text: A range (Au, Pt, Pd) of metal nanoparticles (MNPs) has been prepared and functionalized with (a) redox-active stalks containing tetrathiafulvalene (TTF) units, (b) [2]pseudorotaxanes formed between these stalks and cyclobis(paraquat-p-phenylene) (CBPQT4+) rings, and (c) bistable [2]rotaxane molecules where the dumbbell component contains a 1,5-dioxynaphthalene (DNP) unit, as well as a TTF unit, encircled by a CBPQT4+ ring. It transpires that the molecules present in (a) and (c) and the supermolecules described in (b) retain their switching characteristics, previously observed in solution, when they are immobilized onto MNPs. Moreover, their oxidation potentials depend on the fraction, χ, of the molecules or supermolecules on the surface of the nanoparticles. A variation in χ affects the oxidation potentials of the TTF units to the extent that switching can be subjected to fine tuning as a result. Specifically, increasing χ results in positive shifts (i) in the oxidation potentials of the TTF unit in (a)−(c) and (ii) the reduction potentials of the CBPQT4+ rings in (c). These shifts can be attributed to an increase in the electrostatic potential surrounding the MNPs. Both the magnitude and the direction of these shifts are reproduced by a model, based on the Poisson−Boltzmann equation coupled with charge-regulating boundary conditions. Furthermore, the kinetics of relaxation from the metastable state coconformation (MSCC) to the ground-state coconformation (GSCC) of the bistable [2]rotaxane molecules also depends on χ, as well as on the nanoparticle diameter. Increasing either of these parameters accelerates the rate of relaxation from the MSCC to the GSCC. This rate is a function of (i) the activation energy for the relaxation process associated with the bistable [2]rotaxane molecules in solution and (ii) the electrostatic potential surrounding the MNPs. The electrostatic potential depends on (i) the diameter of the MNPs, (ii) the amount of the bistable [2]rotaxane molecules on the surface of the MNPs, and (iii) the equilibrium distribution of the CBPQT4+ rings between the DNP and TTF recognition sites in the GSCC. This electrostatic potential has also been quantified using the Poisson−Boltzmann equation, leading to faithful estimates of the rate constants. article_processing_charge: No article_type: original author: - first_name: Ali full_name: Coskun, Ali last_name: Coskun - first_name: Paul J. full_name: Wesson, Paul J. last_name: Wesson - first_name: Rafal full_name: Klajn, Rafal id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b last_name: Klajn - first_name: Ali full_name: Trabolsi, Ali last_name: Trabolsi - first_name: Lei full_name: Fang, Lei last_name: Fang - first_name: Mark A. full_name: Olson, Mark A. last_name: Olson - first_name: Sanjeev K. full_name: Dey, Sanjeev K. last_name: Dey - first_name: Bartosz A. full_name: Grzybowski, Bartosz A. last_name: Grzybowski - first_name: J. Fraser full_name: Stoddart, J. Fraser last_name: Stoddart citation: ama: 'Coskun A, Wesson PJ, Klajn R, et al. Molecular-mechanical switching at the nanoparticle−solvent interface: Practice and theory. Journal of the American Chemical Society. 2010;132(12):4310-4320. doi:10.1021/ja9102327' apa: 'Coskun, A., Wesson, P. J., Klajn, R., Trabolsi, A., Fang, L., Olson, M. A., … Stoddart, J. F. (2010). Molecular-mechanical switching at the nanoparticle−solvent interface: Practice and theory. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/ja9102327' chicago: 'Coskun, Ali, Paul J. Wesson, Rafal Klajn, Ali Trabolsi, Lei Fang, Mark A. Olson, Sanjeev K. Dey, Bartosz A. Grzybowski, and J. Fraser Stoddart. “Molecular-Mechanical Switching at the Nanoparticle−solvent Interface: Practice and Theory.” Journal of the American Chemical Society. American Chemical Society, 2010. https://doi.org/10.1021/ja9102327.' ieee: 'A. Coskun et al., “Molecular-mechanical switching at the nanoparticle−solvent interface: Practice and theory,” Journal of the American Chemical Society, vol. 132, no. 12. American Chemical Society, pp. 4310–4320, 2010.' ista: 'Coskun A, Wesson PJ, Klajn R, Trabolsi A, Fang L, Olson MA, Dey SK, Grzybowski BA, Stoddart JF. 2010. Molecular-mechanical switching at the nanoparticle−solvent interface: Practice and theory. Journal of the American Chemical Society. 132(12), 4310–4320.' mla: 'Coskun, Ali, et al. “Molecular-Mechanical Switching at the Nanoparticle−solvent Interface: Practice and Theory.” Journal of the American Chemical Society, vol. 132, no. 12, American Chemical Society, 2010, pp. 4310–20, doi:10.1021/ja9102327.' short: A. Coskun, P.J. Wesson, R. Klajn, A. Trabolsi, L. Fang, M.A. Olson, S.K. Dey, B.A. Grzybowski, J.F. Stoddart, Journal of the American Chemical Society 132 (2010) 4310–4320. date_created: 2023-08-01T09:48:27Z date_published: 2010-03-31T00:00:00Z date_updated: 2023-08-08T08:00:31Z day: '31' doi: 10.1021/ja9102327 extern: '1' external_id: pmid: - '20218598' intvolume: ' 132' issue: '12' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng month: '03' oa_version: None page: 4310-4320 pmid: 1 publication: Journal of the American Chemical Society publication_identifier: eissn: - 1520-5126 issn: - 0002-7863 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: 'Molecular-mechanical switching at the nanoparticle−solvent interface: Practice and theory' type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 132 year: '2010' ... --- _id: '13420' abstract: - lang: eng text: Weakly protected metal nanoparticles (MNPs) are used as precursors for the preparation of catenane- and pseudorotaxane-decorated NPs of various compositions (gold, palladium, platinum). When attached to the surface of MNPs, the molecular switches retain their switching abilities. The redox potentials of these switches depend on and can be regulated by the composition of the mixed self-assembled monolayers covering the MNPs. article_processing_charge: No article_type: original author: - first_name: Rafal full_name: Klajn, Rafal id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b last_name: Klajn - first_name: Lei full_name: Fang, Lei last_name: Fang - first_name: Ali full_name: Coskun, Ali last_name: Coskun - first_name: Mark A. full_name: Olson, Mark A. last_name: Olson - first_name: Paul J. full_name: Wesson, Paul J. last_name: Wesson - first_name: J. Fraser full_name: Stoddart, J. Fraser last_name: Stoddart - first_name: Bartosz A. full_name: Grzybowski, Bartosz A. last_name: Grzybowski citation: ama: Klajn R, Fang L, Coskun A, et al. Metal nanoparticles functionalized with molecular and supramolecular switches. Journal of the American Chemical Society. 2009;131(12):4233-4235. doi:10.1021/ja9001585 apa: Klajn, R., Fang, L., Coskun, A., Olson, M. A., Wesson, P. J., Stoddart, J. F., & Grzybowski, B. A. (2009). Metal nanoparticles functionalized with molecular and supramolecular switches. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/ja9001585 chicago: Klajn, Rafal, Lei Fang, Ali Coskun, Mark A. Olson, Paul J. Wesson, J. Fraser Stoddart, and Bartosz A. Grzybowski. “Metal Nanoparticles Functionalized with Molecular and Supramolecular Switches.” Journal of the American Chemical Society. American Chemical Society, 2009. https://doi.org/10.1021/ja9001585. ieee: R. Klajn et al., “Metal nanoparticles functionalized with molecular and supramolecular switches,” Journal of the American Chemical Society, vol. 131, no. 12. American Chemical Society, pp. 4233–4235, 2009. ista: Klajn R, Fang L, Coskun A, Olson MA, Wesson PJ, Stoddart JF, Grzybowski BA. 2009. Metal nanoparticles functionalized with molecular and supramolecular switches. Journal of the American Chemical Society. 131(12), 4233–4235. mla: Klajn, Rafal, et al. “Metal Nanoparticles Functionalized with Molecular and Supramolecular Switches.” Journal of the American Chemical Society, vol. 131, no. 12, American Chemical Society, 2009, pp. 4233–35, doi:10.1021/ja9001585. short: R. Klajn, L. Fang, A. Coskun, M.A. Olson, P.J. Wesson, J.F. Stoddart, B.A. Grzybowski, Journal of the American Chemical Society 131 (2009) 4233–4235. date_created: 2023-08-01T10:30:17Z date_published: 2009-04-01T00:00:00Z date_updated: 2023-08-08T09:06:00Z day: '01' doi: 10.1021/ja9001585 extern: '1' external_id: pmid: - '19265400' intvolume: ' 131' issue: '12' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng month: '04' oa_version: None page: 4233-4235 pmid: 1 publication: Journal of the American Chemical Society publication_identifier: eissn: - 1520-5126 issn: - 0002-7863 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Metal nanoparticles functionalized with molecular and supramolecular switches type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 131 year: '2009' ... --- _id: '8487' abstract: - lang: eng text: Following unidirectional biophysical events such as the folding of proteins or the equilibration of binding interactions, requires experimental methods that yield information at both atomic-level resolution and at high repetition rates. Toward this end a number of different approaches enabling the rapid acquisition of 2D NMR spectra have been recently introduced, including spatially encoded “ultrafast” 2D NMR spectroscopy and SOFAST HMQC NMR. Whereas the former accelerates acquisitions by reducing the number of scans that are necessary for completing arbitrary 2D NMR experiments, the latter operates by reducing the delay between consecutive scans while preserving sensitivity. Given the complementarities between these two approaches it seems natural to combine them into a single tool, enabling the acquisition of full 2D protein NMR spectra at high repetition rates. We demonstrate here this capability with the introduction of “ultraSOFAST” HMQC NMR, a spatially encoded and relaxation-optimized approach that can provide 2D protein correlation spectra at ∼1 s repetition rates for samples in the ∼2 mM concentration range. The principles, relative advantages, and current limitations of this new approach are discussed, and its application is exemplified with a study of the fast hydrogen−deuterium exchange characterizing amide sites in Ubiquitin. article_processing_charge: No article_type: original author: - first_name: Maayan full_name: Gal, Maayan last_name: Gal - first_name: Paul full_name: Schanda, Paul id: 7B541462-FAF6-11E9-A490-E8DFE5697425 last_name: Schanda orcid: 0000-0002-9350-7606 - first_name: Bernhard full_name: Brutscher, Bernhard last_name: Brutscher - first_name: Lucio full_name: Frydman, Lucio last_name: Frydman citation: ama: Gal M, Schanda P, Brutscher B, Frydman L. UltraSOFAST HMQC NMR and the repetitive acquisition of 2D protein spectra at Hz rates. Journal of the American Chemical Society. 2007;129(5):1372-1377. doi:10.1021/ja066915g apa: Gal, M., Schanda, P., Brutscher, B., & Frydman, L. (2007). UltraSOFAST HMQC NMR and the repetitive acquisition of 2D protein spectra at Hz rates. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/ja066915g chicago: Gal, Maayan, Paul Schanda, Bernhard Brutscher, and Lucio Frydman. “UltraSOFAST HMQC NMR and the Repetitive Acquisition of 2D Protein Spectra at Hz Rates.” Journal of the American Chemical Society. American Chemical Society, 2007. https://doi.org/10.1021/ja066915g. ieee: M. Gal, P. Schanda, B. Brutscher, and L. Frydman, “UltraSOFAST HMQC NMR and the repetitive acquisition of 2D protein spectra at Hz rates,” Journal of the American Chemical Society, vol. 129, no. 5. American Chemical Society, pp. 1372–1377, 2007. ista: Gal M, Schanda P, Brutscher B, Frydman L. 2007. UltraSOFAST HMQC NMR and the repetitive acquisition of 2D protein spectra at Hz rates. Journal of the American Chemical Society. 129(5), 1372–1377. mla: Gal, Maayan, et al. “UltraSOFAST HMQC NMR and the Repetitive Acquisition of 2D Protein Spectra at Hz Rates.” Journal of the American Chemical Society, vol. 129, no. 5, American Chemical Society, 2007, pp. 1372–77, doi:10.1021/ja066915g. short: M. Gal, P. Schanda, B. Brutscher, L. Frydman, Journal of the American Chemical Society 129 (2007) 1372–1377. date_created: 2020-09-18T10:13:27Z date_published: 2007-01-10T00:00:00Z date_updated: 2021-01-12T08:19:37Z day: '10' doi: 10.1021/ja066915g extern: '1' intvolume: ' 129' issue: '5' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng month: '01' oa_version: None page: 1372-1377 publication: Journal of the American Chemical Society publication_identifier: issn: - 0002-7863 - 1520-5126 publication_status: published publisher: American Chemical Society quality_controlled: '1' status: public title: UltraSOFAST HMQC NMR and the repetitive acquisition of 2D protein spectra at Hz rates type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 129 year: '2007' ... --- _id: '8486' abstract: - lang: eng text: A technique is described that allows reducing acquisition times of multidimensional NMR experiments by extensive spectral folding. The method is simple and has many interesting applications for NMR studies of molecular structure, dynamics, and kinetics. article_processing_charge: No article_type: original author: - first_name: Ewen full_name: Lescop, Ewen last_name: Lescop - first_name: Paul full_name: Schanda, Paul id: 7B541462-FAF6-11E9-A490-E8DFE5697425 last_name: Schanda orcid: 0000-0002-9350-7606 - first_name: Rodolfo full_name: Rasia, Rodolfo last_name: Rasia - first_name: Bernhard full_name: Brutscher, Bernhard last_name: Brutscher citation: ama: Lescop E, Schanda P, Rasia R, Brutscher B. Automated spectral compression for fast multidimensional NMR and increased time resolution in real-time NMR spectroscopy. Journal of the American Chemical Society. 2007;129(10):2756-2757. doi:10.1021/ja068949u apa: Lescop, E., Schanda, P., Rasia, R., & Brutscher, B. (2007). Automated spectral compression for fast multidimensional NMR and increased time resolution in real-time NMR spectroscopy. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/ja068949u chicago: Lescop, Ewen, Paul Schanda, Rodolfo Rasia, and Bernhard Brutscher. “Automated Spectral Compression for Fast Multidimensional NMR and Increased Time Resolution in Real-Time NMR Spectroscopy.” Journal of the American Chemical Society. American Chemical Society, 2007. https://doi.org/10.1021/ja068949u. ieee: E. Lescop, P. Schanda, R. Rasia, and B. Brutscher, “Automated spectral compression for fast multidimensional NMR and increased time resolution in real-time NMR spectroscopy,” Journal of the American Chemical Society, vol. 129, no. 10. American Chemical Society, pp. 2756–2757, 2007. ista: Lescop E, Schanda P, Rasia R, Brutscher B. 2007. Automated spectral compression for fast multidimensional NMR and increased time resolution in real-time NMR spectroscopy. Journal of the American Chemical Society. 129(10), 2756–2757. mla: Lescop, Ewen, et al. “Automated Spectral Compression for Fast Multidimensional NMR and Increased Time Resolution in Real-Time NMR Spectroscopy.” Journal of the American Chemical Society, vol. 129, no. 10, American Chemical Society, 2007, pp. 2756–57, doi:10.1021/ja068949u. short: E. Lescop, P. Schanda, R. Rasia, B. Brutscher, Journal of the American Chemical Society 129 (2007) 2756–2757. date_created: 2020-09-18T10:13:21Z date_published: 2007-02-17T00:00:00Z date_updated: 2021-01-12T08:19:36Z day: '17' doi: 10.1021/ja068949u extern: '1' intvolume: ' 129' issue: '10' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng month: '02' oa_version: None page: 2756-2757 publication: Journal of the American Chemical Society publication_identifier: issn: - 0002-7863 - 1520-5126 publication_status: published publisher: American Chemical Society quality_controlled: '1' status: public title: Automated spectral compression for fast multidimensional NMR and increased time resolution in real-time NMR spectroscopy type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 129 year: '2007' ... --- _id: '8488' abstract: - lang: eng text: We demonstrate for different protein samples that three-dimensional HNCO and HNCA correlation spectra may be recorded in a few minutes acquisition time using the band-selective excitation short-transient sequences presented here. This opens new perspectives for the NMR structural investigation of unstable protein samples and real-time site-resolved studies of protein kinetics. article_processing_charge: No article_type: original author: - first_name: Paul full_name: Schanda, Paul id: 7B541462-FAF6-11E9-A490-E8DFE5697425 last_name: Schanda orcid: 0000-0002-9350-7606 - first_name: Hélène full_name: Van Melckebeke, Hélène last_name: Van Melckebeke - first_name: Bernhard full_name: Brutscher, Bernhard last_name: Brutscher citation: ama: Schanda P, Van Melckebeke H, Brutscher B. Speeding up three-dimensional protein NMR experiments to a few minutes. Journal of the American Chemical Society. 2006;128(28):9042-9043. doi:10.1021/ja062025p apa: Schanda, P., Van Melckebeke, H., & Brutscher, B. (2006). Speeding up three-dimensional protein NMR experiments to a few minutes. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/ja062025p chicago: Schanda, Paul, Hélène Van Melckebeke, and Bernhard Brutscher. “Speeding up Three-Dimensional Protein NMR Experiments to a Few Minutes.” Journal of the American Chemical Society. American Chemical Society, 2006. https://doi.org/10.1021/ja062025p. ieee: P. Schanda, H. Van Melckebeke, and B. Brutscher, “Speeding up three-dimensional protein NMR experiments to a few minutes,” Journal of the American Chemical Society, vol. 128, no. 28. American Chemical Society, pp. 9042–9043, 2006. ista: Schanda P, Van Melckebeke H, Brutscher B. 2006. Speeding up three-dimensional protein NMR experiments to a few minutes. Journal of the American Chemical Society. 128(28), 9042–9043. mla: Schanda, Paul, et al. “Speeding up Three-Dimensional Protein NMR Experiments to a Few Minutes.” Journal of the American Chemical Society, vol. 128, no. 28, American Chemical Society, 2006, pp. 9042–43, doi:10.1021/ja062025p. short: P. Schanda, H. Van Melckebeke, B. Brutscher, Journal of the American Chemical Society 128 (2006) 9042–9043. date_created: 2020-09-18T10:13:36Z date_published: 2006-06-21T00:00:00Z date_updated: 2021-01-12T08:19:37Z day: '21' doi: 10.1021/ja062025p extern: '1' intvolume: ' 128' issue: '28' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng month: '06' oa_version: None page: 9042-9043 publication: Journal of the American Chemical Society publication_identifier: issn: - 0002-7863 - 1520-5126 publication_status: published publisher: American Chemical Society quality_controlled: '1' status: public title: Speeding up three-dimensional protein NMR experiments to a few minutes type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 128 year: '2006' ... --- _id: '13428' abstract: - lang: eng text: Mixtures of oppositely charged nanoparticles of various sizes and charge ratios precipitate only at the point of electroneutrality. This phenomenonspecific to the nanoscale and reminiscent of threshold precipitation of ionsis a consequence of the formation of core-and-shell nanoparticle aggregates, in which the shells are composed of like-charged particles and are stabilized by efficient electrostatic screening. article_processing_charge: No article_type: original author: - first_name: Alexander M. full_name: Kalsin, Alexander M. last_name: Kalsin - first_name: Bartlomiej full_name: Kowalczyk, Bartlomiej last_name: Kowalczyk - first_name: Stoyan K. full_name: Smoukov, Stoyan K. last_name: Smoukov - first_name: Rafal full_name: Klajn, Rafal id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b last_name: Klajn - first_name: Bartosz A. full_name: Grzybowski, Bartosz A. last_name: Grzybowski citation: ama: Kalsin AM, Kowalczyk B, Smoukov SK, Klajn R, Grzybowski BA. Ionic-like behavior of oppositely charged nanoparticles. Journal of the American Chemical Society. 2006;128(47):15046-15047. doi:10.1021/ja0642966 apa: Kalsin, A. M., Kowalczyk, B., Smoukov, S. K., Klajn, R., & Grzybowski, B. A. (2006). Ionic-like behavior of oppositely charged nanoparticles. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/ja0642966 chicago: Kalsin, Alexander M., Bartlomiej Kowalczyk, Stoyan K. Smoukov, Rafal Klajn, and Bartosz A. Grzybowski. “Ionic-like Behavior of Oppositely Charged Nanoparticles.” Journal of the American Chemical Society. American Chemical Society, 2006. https://doi.org/10.1021/ja0642966. ieee: A. M. Kalsin, B. Kowalczyk, S. K. Smoukov, R. Klajn, and B. A. Grzybowski, “Ionic-like behavior of oppositely charged nanoparticles,” Journal of the American Chemical Society, vol. 128, no. 47. American Chemical Society, pp. 15046–15047, 2006. ista: Kalsin AM, Kowalczyk B, Smoukov SK, Klajn R, Grzybowski BA. 2006. Ionic-like behavior of oppositely charged nanoparticles. Journal of the American Chemical Society. 128(47), 15046–15047. mla: Kalsin, Alexander M., et al. “Ionic-like Behavior of Oppositely Charged Nanoparticles.” Journal of the American Chemical Society, vol. 128, no. 47, American Chemical Society, 2006, pp. 15046–47, doi:10.1021/ja0642966. short: A.M. Kalsin, B. Kowalczyk, S.K. Smoukov, R. Klajn, B.A. Grzybowski, Journal of the American Chemical Society 128 (2006) 15046–15047. date_created: 2023-08-01T10:36:27Z date_published: 2006-11-29T00:00:00Z date_updated: 2023-08-08T11:30:06Z day: '29' doi: 10.1021/ja0642966 extern: '1' external_id: pmid: - '17117829' intvolume: ' 128' issue: '47' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng month: '11' oa_version: None page: 15046-15047 pmid: 1 publication: Journal of the American Chemical Society publication_identifier: eissn: - 1520-5126 issn: - 0002-7863 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Ionic-like behavior of oppositely charged nanoparticles type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 128 year: '2006' ...